SCHEMBL3113246

SCHEMBL3113246

COc1ccc(CN)nn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.44
LOXL2 Q9Y4K0 2/20 0.42
LOX P28300 1/20 0.42
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KEAP1 Q14145 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOB P27338 4/20 0.31

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
Hydrochloric Acid SCHEMBL22395334 0.98 NNMT (0.42) NNMTLOXL2LOXKDM4EALDH1A1
SCHEMBL9937577 0.80 NOTUM (0.38) LOXL2ALDH1A1CA12CA1CA2
SCHEMBL4592482 0.79 NNMT (0.39) NNMTLOXL2LOXKDM4EALDH1A1
SCHEMBL12141758 0.79 NNMT (0.41) NNMTLOXL2LOXKDM4EALDH1A1
SCHEMBL15633541 0.77 NNMT (0.44) NNMTKDM4EALDH1A1HTTLMNA
SCHEMBL20894523 0.77 NNMT (0.39) NNMTKDM4EALDH1A1HTTLMNA
SCHEMBL31514101 0.77 NNMT (0.39) NNMTLOXL2LOXKDM4EALDH1A1
SCHEMBL29631035 0.77 NNMT (0.39) NNMTKDM4EALDH1A1HTTLMNA
SCHEMBL353814 0.77 NNMT (0.54) NNMTKDM4EALDH1A1HTTLMNA
SCHEMBL29795195 0.77 NNMT (0.54) NNMTKDM4EALDH1A1HTTLMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
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 disclosed
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2008-02-14 US disclosed
US-20080032974-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US disclosed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US disclosed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US 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 (10 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 NNMT 303/4885LOXL2 2129/4885LOX 1290/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX NNMT 376/4885LOXL2 2240/4885LOX 1381/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX NNMT 303/4885LOXL2 2218/4885LOX 1439/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX NNMT 303/4885LOXL2 2129/4885LOX 1290/4885
US-20080032974-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX NNMT 303/4885LOXL2 2129/4885LOX 1290/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX NNMT 303/4885LOXL2 2129/4885LOX 1290/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX NNMT 303/4885LOXL2 2129/4885LOX 1290/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX NNMT 303/4885LOXL2 2129/4885LOX 1290/4885
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX NNMT 303/4885LOXL2 2129/4885LOX 1290/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX NNMT 303/4885LOXL2 2129/4885LOX 1290/4885

“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.