SCHEMBL2817787

SCHEMBL2817787

COc1ccc(CNc2nc(C)nc3ccccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.74
SLC2A1 P11166 1/20 0.66
POLB P06746 2/20 0.66
EGFR P00533 2/20 0.66
NR2F2 P24468 1/20 0.66
USP1 O94782 1/20 0.61
WDR48 Q8TAF3 1/20 0.61
LMNA P02545 5/20 0.59
TP53 P04637 1/20 0.59
NCF1 P14598 1/20 0.58
TSHR P16473 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C19 P33261 3/20 0.58
MAPK1 P28482 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP2C9 P11712 2/20 0.58
ALDH1A1 P00352 2/20 0.58
USP2 O75604 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2395193 0.99 APP (0.73) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3977315 0.87 RAD52 (0.71) APPEGFRNR2F2LMNATSHR
SCHEMBL3118894 0.86 APP (0.74) APPSLC2A1POLBEGFRNR2F2
SCHEMBL2586993 0.86 SLC2A1 (0.81) APPSLC2A1POLBEGFRNR2F2
SCHEMBL2255109 0.86 SLC2A1 (0.81) APPSLC2A1POLBEGFRNR2F2
SCHEMBL12175936 0.86 APP (0.74) APPLMNATSHRALDH1A1HTT
SCHEMBL4867976 0.86 APP (0.76) APPSLC2A1EGFRLMNATP53
Hydrochloric Acid SCHEMBL3640013 0.85 SLC2A1 (0.80) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3121699 0.85 APP (0.73) APPSLC2A1POLBEGFRNR2F2
SCHEMBL2256525 0.85 APP (1.00) APPSLC2A1POLBEGFRNR2F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261739-A1 Method of Treating Non-Small Cell Lung Cancer MYRIAD PHARMACEUTICALS, INC. (US) 2010-10-14 US claimed
US-20100137342-A1 METHODS FOR TREATING VASCULAR DISRUPTION DISORDERS MYRIAD PHARMACEUTICALS, INC. (US) 2010-06-03 US claimed
US-20100093773-A1 METHODS OF TREATING CANCER MYRIAD PHARMACEUTICALS, INC. (US) 2010-04-15 US claimed
US-20100087458-A1 METHOD OF TREATING MELANOMA MYRIAD PHARMACEUTICALS, INC. (US) 2010-04-08 US claimed
US-20100087457-A1 DOSAGES AND METHODS FOR THE TREATMENT OF CANCER Myriad Pharmaceuticals, Inc (US) 2010-04-08 US claimed
US-7618975-B2 4-arylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYRIAD PHARMACEUTICALS, INC. (US) 2009-11-17 US claimed
US-20090069350-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-03-12 US claimed
WO-2009023876-A1 METHOD OF TREATING NON-SMALL CELL LUNG CANCER MYRIAD GENETICS, INC. (US) 2009-02-19 WO claimed
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US claimed
JP-2008526734-A 2008-07-24 JP claimed
EP-1890677-A2 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-02-27 EP claimed
US-20070259901-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-11-08 US claimed
US-20070249632-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US claimed
US-20070249640-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US claimed
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US claimed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP claimed
WO-2006138608-A2 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2006-12-28 WO claimed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 WO claimed
US-20050137213-A1 Compounds and therapeutical use thereof MYRIAD GENETICS, INCORPORATED (US) 2005-06-23 US claimed
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100261739-A1 Method of Treating Non-Small Cell Lung Cancer MYRIAD PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
US-20100087457-A1 DOSAGES AND METHODS FOR THE TREATMENT OF CANCER Myriad Pharmaceuticals, Inc (US) 2010-04-08 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
EP-2144886-A1 METHOD OF TREATING MELANOMA Myriad Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
EP-2144888-A1 METHODS FOR TREATING CANCER Myriad Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
EP-2144886-A1 METHOD OF TREATING MELANOMA Myriad Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
EP-2144504-A1 METHOD OF TREATING BRAIN CANCER Myriad Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
EP-2144504-A1 METHOD OF TREATING BRAIN CANCER Myriad Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
EP-2144887-A1 DOSAGES AND METHODS FOR THE TREATMENT OF CANCER Myriad Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
EP-2144888-A1 METHODS FOR TREATING CANCER Myriad Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
US-7618975-B2 4-arylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYRIAD PHARMACEUTICALS, INC. (US) 2009-11-17 US disclosed
US-20090069350-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-03-12 US disclosed
WO-2009023876-A1 METHOD OF TREATING NON-SMALL CELL LUNG CANCER MYRIAD GENETICS, INC. (US) 2009-02-19 WO disclosed
WO-2008124823-A1 METHOD OF TREATING MELANOMA MYRIAD GENETICS, INC. (US) 2008-10-16 WO disclosed
WO-2008124826-A1 METHODS FOR TREATING CANCER MYRIAD GENETICS, INC. (US) 2008-10-16 WO disclosed
WO-2008124826-A1 METHODS FOR TREATING CANCER MYRIAD GENETICS, INC. (US) 2008-10-16 WO disclosed
WO-2008124822-A1 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2008-10-16 WO disclosed
WO-2008124828-A1 METHODS FOR TREATING VASCULAR DISRUPTION DISORDERS MYRIAD GENETICS, INC. (US) 2008-10-16 WO disclosed
WO-2008124823-A1 METHOD OF TREATING MELANOMA MYRIAD GENETICS, INC. (US) 2008-10-16 WO disclosed
WO-2008124822-A1 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2008-10-16 WO disclosed
WO-2008124824-A1 DOSAGES AND METHODS FOR THE TREATMENT OF CANCER MYRIAD GENETICS, INC. (US) 2008-10-16 WO disclosed
WO-2008124828-A1 METHODS FOR TREATING VASCULAR DISRUPTION DISORDERS MYRIAD GENETICS, INC. (US) 2008-10-16 WO disclosed
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US disclosed
EP-1890677-A2 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-02-27 EP disclosed
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2008-02-14 US disclosed
US-20080032974-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US disclosed
US-20070259901-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-11-08 US disclosed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US disclosed
US-20070249640-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US disclosed
US-20070249632-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US disclosed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US disclosed
WO-2006138608-A2 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2006-12-28 WO disclosed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 WO disclosed
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 EP disclosed
US-20050137213-A1 Compounds and therapeutical use thereof MYRIAD GENETICS, INCORPORATED (US) 2005-06-23 US disclosed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 WO disclosed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (20 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069350-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP APP 1620/4885SLC2A1 1031/4885POLB 3869/4885
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885SLC2A1 2881/4885POLB 1890/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX APP 2989/4885SLC2A1 2605/4885POLB 1857/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3261/4885SLC2A1 2886/4885POLB 1789/4885
US-20100137342-A1 METHODS FOR TREATING VASCULAR DISRUPTION DISORDERS VEGFA, FLT4, PDE3A APP 4605/4885SLC2A1 1972/4885POLB 1603/4885
US-20070249640-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP APP 1620/4885SLC2A1 1031/4885POLB 3869/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885SLC2A1 2881/4885POLB 1890/4885
US-20080032974-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885SLC2A1 2881/4885POLB 1890/4885
US-20070249632-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP APP 1620/4885SLC2A1 1031/4885POLB 3869/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885SLC2A1 2881/4885POLB 1890/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX APP 3339/4885SLC2A1 2881/4885POLB 1890/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885SLC2A1 2881/4885POLB 1890/4885
US-20100261739-A1 Method of Treating Non-Small Cell Lung Cancer TUBB3, NES, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 APP 4740/4885SLC2A1 2882/4885POLB 3201/4885
US-20070259901-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP APP 1620/4885SLC2A1 1031/4885POLB 3869/4885
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY GPR119, GCKR, GLP1R APP 4386/4885SLC2A1 21/4885POLB 4499/4885
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885SLC2A1 2881/4885POLB 1890/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885SLC2A1 2881/4885POLB 1890/4885
US-20100087457-A1 DOSAGES AND METHODS FOR THE TREATMENT OF CANCER CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, INMT APP 4350/4885SLC2A1 1412/4885POLB 2447/4885
US-20100093773-A1 METHODS OF TREATING CANCER TOP2A, VHL, TOP2B APP 4876/4885SLC2A1 920/4885POLB 453/4885
US-20100087458-A1 METHOD OF TREATING MELANOMA TYR, HNMT, PNMT APP 4862/4885SLC2A1 1681/4885POLB 700/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.