SCHEMBL3106576

SCHEMBL3106576

CCOc1ccc(CNc2nc(Cl)nc3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.71
PDE5A O76074 2/20 0.71
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 2/20 0.53
BCHE P06276 3/20 0.52
ACHE P22303 3/20 0.52
EGFR P00533 1/20 0.52
NR2F2 P24468 1/20 0.52
RAD52 P43351 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
SLC2A1 P11166 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
UBE2N P61088 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3115625 0.90 APP (0.67) APPPDE5APOLBBCHEACHE
SCHEMBL1685041 0.87 APP (0.74) APPPDE5APOLBEGFRNR2F2
Hydrochloric Acid SCHEMBL1685081 0.86 APP (0.72) APPPDE5APOLBEGFRNR2F2
SCHEMBL3108304 0.86 APP (0.76) APPPDE5APOLBBCHEACHE
SCHEMBL3114976 0.85 APP (0.54) APPPDE5ANPC1RAB9APOLB
SCHEMBL29388255 0.84 APP (1.00) APPPDE5ARAB9ABCHEACHE
SCHEMBL3113122 0.84 APP (1.00) APPPDE5ARAB9ABCHEACHE
SCHEMBL3116114 0.83 APP (0.57) APPPDE5ANPC1RAB9APOLB
SCHEMBL3113251 0.83 APP (0.81) APPPDE5ABCHEACHERAD52
SCHEMBL3106597 0.83 APP (0.85) APPPDE5APOLBBCHEACHE

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 42 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
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 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
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2008-02-28 US 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-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 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-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 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
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US claimed
JP-2007524637-A 2007-08-30 JP claimed
WO-2006138608-A2 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2006-12-28 WO claimed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 WO claimed
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 EP claimed
US-20050137213-A1 Compounds and therapeutical use thereof MYRIAD GENETICS, INCORPORATED (US) 2005-06-23 US claimed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 WO claimed

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

For each of this compound's patents that has machine-readable text (11 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 1620/4885PDE5A 325/4885NPC1 109/4885
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885PDE5A 2855/4885NPC1 1585/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3261/4885PDE5A 3000/4885NPC1 1463/4885
US-20070249640-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP APP 1620/4885PDE5A 325/4885NPC1 109/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885PDE5A 2855/4885NPC1 1585/4885
US-20070249632-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP APP 1620/4885PDE5A 325/4885NPC1 109/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX APP 3339/4885PDE5A 2855/4885NPC1 1585/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885PDE5A 2855/4885NPC1 1585/4885
US-20070259901-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF LPXN, PNLIP, IAPP APP 1620/4885PDE5A 325/4885NPC1 109/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX APP 3339/4885PDE5A 2855/4885NPC1 1585/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD APP 4555/4885PDE5A 1796/4885NPC1 3285/4885

“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.