SCHEMBL3115102

SCHEMBL3115102

COc1ccc(CNc2nc(Cl)nc3cc(C)ccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
APP P05067 2/20 0.52
PDE5A O76074 2/20 0.51
CCNE2 O96020 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CTNNB1 P35222 2/20 0.50
TCF7L2 Q9NQB0 2/20 0.50
POLB P06746 2/20 0.49
EGFR P00533 2/20 0.48
NR2F2 P24468 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
SLC2A1 P11166 1/20 0.46

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
SCHEMBL3115949 0.90 HRH4 (0.54) HTTAPPPDE5ACCNE2CCNE1
SCHEMBL3110406 0.89 HTT (0.70) HTTAPPPDE5ACCNE2CCNE1
SCHEMBL3112150 0.84 MEN1 (0.66) HTTAPPPDE5ACCNE2CCNE1
SCHEMBL1685041 0.84 APP (0.74) APPPDE5APOLBEGFRNR2F2
SCHEMBL3108883 0.84 MEN1 (0.60) HTTAPPPDE5ACCNE2CCNE1
Hydrochloric Acid SCHEMBL1685081 0.82 APP (0.72) APPPDE5APOLBEGFRNR2F2
SCHEMBL3122316 0.81 HTT (0.66) HTTAPPPDE5AEGFRLMNA
SCHEMBL3114867 0.81 HRH4 (0.67) HTTAPPPDE5ACCNE2CCNE1
SCHEMBL22165166 0.81 HTT (0.49) HTTAPPPDE5ACCNE2CCNE1
SCHEMBL4178593 0.80 MEN1 (0.49) APPPDE5ACTNNB1TCF7L2POLB

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 31 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-20080051398-A1 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2008-02-28 US claimed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL 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-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
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
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 (9 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 HTT 3187/4885APP 3339/4885PDE5A 2855/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX HTT 2744/4885APP 2989/4885PDE5A 2924/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX HTT 2787/4885APP 3261/4885PDE5A 3000/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX HTT 3187/4885APP 3339/4885PDE5A 2855/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX HTT 3187/4885APP 3339/4885PDE5A 2855/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX HTT 3187/4885APP 3339/4885PDE5A 2855/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX HTT 3187/4885APP 3339/4885PDE5A 2855/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX HTT 3187/4885APP 3339/4885PDE5A 2855/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD HTT 3587/4885APP 4555/4885PDE5A 1796/4885

“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.