SCHEMBL2256171

SCHEMBL2256171

Cc1nc(C(N)c2ccc(N)cc2)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 2/20 0.40
NUDT1 P36639 1/20 0.40
KDM1A O60341 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
KRAS P01116 1/20 0.39
SOS1 Q07889 1/20 0.39
BACE1 P56817 1/20 0.39
NCF1 P14598 1/20 0.39
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GLA P06280 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
ATM Q13315 2/20 0.38

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
SCHEMBL3120936 0.87 SSTR4 (0.39) ALDH1A1HPGDHSD17B10CYP1A2NUDT1
SCHEMBL3109887 0.87 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10CYP1A2NUDT1
SCHEMBL3121168 0.85 HTT (0.40) ALDH1A1HPGDHSD17B10CYP1A2NUDT1
SCHEMBL3107636 0.84 MAPT (0.38) ALDH1A1HPGDLMNAHTTKDM4E
SCHEMBL3115853 0.84 KDM1A (0.43) ALDH1A1HPGDHSD17B10CYP1A2KDM1A
SCHEMBL2257191 0.84 KDM1A (0.47) ALDH1A1HPGDHSD17B10CYP1A2NUDT1
SCHEMBL2259987 0.84 EGFR (0.51) ALDH1A1HPGDHSD17B10CYP1A2NUDT1
SCHEMBL3122185 0.84 MAPK1 (0.45) HSD17B10KMT2AMEN1ATMSSTR4
Hydrochloric Acid SCHEMBL3109984 0.83 EGFR (0.50) ALDH1A1HPGDCYP1A2KDM1ALMNA
SCHEMBL3114777 0.82 HTT (0.41) ALDH1A1HPGDLMNAHTTBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7989462-B2 4-arylamin-or-4-heteroarylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2011-08-02 US disclosed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 WO disclosed
WO-2006074147-A2 NITROGEN CONTAINING BICYCLIC COMPOUNDS AND THERAPEUTICAL USE THEREOF 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 (8 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 ALDH1A1 1179/4885HPGD 809/4885HSD17B10 3171/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX ALDH1A1 1143/4885HPGD 812/4885HSD17B10 2936/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ALDH1A1 1131/4885HPGD 817/4885HSD17B10 3058/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ALDH1A1 1179/4885HPGD 809/4885HSD17B10 3171/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ALDH1A1 1179/4885HPGD 809/4885HSD17B10 3171/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX ALDH1A1 1179/4885HPGD 809/4885HSD17B10 3171/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ALDH1A1 1179/4885HPGD 809/4885HSD17B10 3171/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ALDH1A1 1179/4885HPGD 809/4885HSD17B10 3171/4885

“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.