SCHEMBL2256176

SCHEMBL2256176

Cc1nc(CNc2ccc(N)cc2)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.48
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
ELANE P08246 1/20 0.41
APP P05067 4/20 0.41
BACE1 P56817 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
NUDT1 P36639 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL3109892 0.86 RAB9A (0.49) HTTLMNATSHRAPPNPC1
SCHEMBL3119420 0.86 MEN1 (0.49) HTTLMNATSHRNPC1RAB9A
SCHEMBL3107641 0.84 MAPT (0.56) HTTLMNATSHRAPPNPC1
SCHEMBL2259989 0.83 KDM1A (0.52) KDM1AHTTLMNATSHRNPC1
SCHEMBL3115856 0.83 KDM1A (0.52) KDM1AMAOAMAOBLMNATSHR
SCHEMBL3122188 0.83 ATM (0.51) LMNATSHRNPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL3109986 0.82 MAPT (0.52) KDM1AHTTLMNAAPPNPC1
SCHEMBL2257480 0.81 KMT2A (0.54) KDM1ALMNATSHRAPPNPC1
SCHEMBL3115136 0.81 MAPT (0.56) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3114787 0.81 MAPT (0.46) KDM1AHTTLMNATSHRNPC1

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 28 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-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
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US 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 KDM1A 4321/4885MAOA 1886/4885MAOB 1880/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX KDM1A 4288/4885MAOA 1808/4885MAOB 1796/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDM1A 4136/4885MAOA 1886/4885MAOB 1830/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDM1A 4321/4885MAOA 1886/4885MAOB 1880/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDM1A 4321/4885MAOA 1886/4885MAOB 1880/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX KDM1A 4321/4885MAOA 1886/4885MAOB 1880/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDM1A 4321/4885MAOA 1886/4885MAOB 1880/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDM1A 4321/4885MAOA 1886/4885MAOB 1880/4885

“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.