SCHEMBL3113286

SCHEMBL3113286

COc1ccccc1CNc1nc(Cl)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.70
CYP3A4 P08684 13/20 0.70
CYP2D6 P10635 13/20 0.70
CYP2C19 P33261 13/20 0.70
TSHR P16473 11/20 0.70
LMNA P02545 11/20 0.70
USP2 O75604 9/20 0.70
ALOX15 P16050 4/20 0.70
SLC2A1 P11166 1/20 0.63
APP P05067 3/20 0.62
PDE5A O76074 1/20 0.62
CYP2C9 P11712 9/20 0.61
HSD17B10 Q99714 8/20 0.61
CLK4 Q9HAZ1 6/20 0.61
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
MAPK1 P28482 5/20 0.61
TP53 P04637 4/20 0.61

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
SCHEMBL3117297 0.90 CYP1A2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL3110729 0.87 APP (0.59) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL3110831 0.87 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4859994 0.83 CYP1A2 (0.81) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL9776789 0.82 APP (0.67) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL12170163 0.82 KCNA5 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL12175940 0.82 SLC2A1 (0.70) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL4864864 0.82 CYP1A2 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL3121034 0.81 APP (0.79) APPPDE5AMEN1KMT2A
SCHEMBL20119650 0.81 SMN1; SMN2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19TSHR

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 30 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-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
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
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
US-8258145-B2 Method of treating brain cancer MYREXIS, INC. (US) 2012-09-04 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 CYP1A2 2087/4885CYP3A4 975/4885CYP2D6 1343/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX CYP1A2 2066/4885CYP3A4 1067/4885CYP2D6 1533/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CYP1A2 1881/4885CYP3A4 961/4885CYP2D6 1204/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CYP1A2 2087/4885CYP3A4 975/4885CYP2D6 1343/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CYP1A2 2087/4885CYP3A4 975/4885CYP2D6 1343/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX CYP1A2 2087/4885CYP3A4 975/4885CYP2D6 1343/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CYP1A2 2087/4885CYP3A4 975/4885CYP2D6 1343/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CYP1A2 2087/4885CYP3A4 975/4885CYP2D6 1343/4885
US-20080051398-A1 METHOD OF TREATING BRAIN CANCER CASP3, CASP7, BAD CYP1A2 2065/4885CYP3A4 1789/4885CYP2D6 3120/4885

“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.