SCHEMBL92716

SCHEMBL92716

COc1ccc(CNc2nc(CCl)nc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.70
SLC2A1 P11166 1/20 0.62
POLB P06746 2/20 0.62
EGFR P00533 2/20 0.62
NR2F2 P24468 1/20 0.62
LMNA P02545 3/20 0.59
TP53 P04637 1/20 0.59
USP1 O94782 1/20 0.58
WDR48 Q8TAF3 1/20 0.58
NCF1 P14598 1/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
TSHR P16473 2/20 0.55
MAPK1 P28482 2/20 0.55
CYP2C19 P33261 2/20 0.55
HSD17B10 Q99714 2/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP2C9 P11712 1/20 0.55

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 SCHEMBL1685030 0.99 APP (0.68) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3110568 0.89 APP (0.71) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3114976 0.88 APP (0.54) APPSLC2A1POLBEGFRNR2F2
SCHEMBL92685 0.88 APP (0.73) APPSLC2A1POLBEGFRNR2F2
SCHEMBL4864671 0.88 APP (0.70) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3115914 0.88 APP (0.70) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3110583 0.88 APP (0.70) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3119160 0.88 APP (0.70) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3118736 0.87 APP (0.53) APPSLC2A1POLBEGFRNR2F2
SCHEMBL3976866 0.87 APP (0.68) APPEGFRNR2F2LMNATSHR

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258145-B2 Method of treating brain cancer MYREXIS, INC. (US) 2012-09-04 US claimed
JP-2011527693-A 2011-11-04 JP claimed
US-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF MYREXIS, INC. (US) 2011-08-18 US claimed
EP-2309856-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF Myrexis, Inc. (US) 2011-04-20 EP claimed
WO-2010006115-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-01-14 WO 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-20080051398-A1 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2008-02-28 US claimed
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US claimed
EP-1833511-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2007-09-19 EP claimed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 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-8258145-B2 Method of treating brain cancer MYREXIS, INC. (US) 2012-09-04 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US disclosed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 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

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

For each of this compound's patents that has machine-readable text (7 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-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-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF TP53, NFATC1, BAD APP 4331/4885SLC2A1 861/4885POLB 1433/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885SLC2A1 2881/4885POLB 1890/4885
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-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD APP 4555/4885SLC2A1 3786/4885POLB 1915/4885

“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.