SCHEMBL1778656

SCHEMBL1778656

CN(C)c1ccc(C#N)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
JAK2 O60674 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.37
CYP2A6 P11509 2/20 0.37
PGR P06401 2/20 0.36
NCEH1 Q6PIU2 1/20 0.36
HTT P42858 1/20 0.36
APP P05067 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL1550258 0.78 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EGAACYP2A6
SCHEMBL8651599 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EGAACYP2A6
SCHEMBL4303693 0.76 AR (0.42) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL2336886 0.76 GAA (0.50) KMT2AALDH1A1MAPTKDM4EGAA
SCHEMBL4300629 0.76 TTR (0.47) TTRALBALDH1A1MAPTKDM4E
SCHEMBL4303251 0.76 JAK2 (0.37) ALDH1A1MAPTKDM4EJAK2GAA
SCHEMBL29893806 0.76 FFAR1 (0.36) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL28628800 0.76 FFAR1 (0.36) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL23730436 0.74 TSHR (0.39) MEN1TTRALBKMT2AALDH1A1
SCHEMBL11017920 0.73 MEN1 (0.52) MEN1TTRALBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
US-9018205-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-28 US disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
EP-2200436-B1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2015-01-21 EP disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
US-20030229090-A1 1,6 Naphthyridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-11 US disclosed
US-20030158195-A1 1,6 naphthyridines useful as inhibitors of SYK kinase BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
WO-2003057695-A1 1,6 NAPHTHYRIDINES USEFUL AS INHIBITORS OF SYK KINASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-07-17 WO disclosed
CN-1413213-A Azaindoles AVENTIS PHARMA LTD (GB) 2003-04-23 CN disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 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 (5 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 MEN1 696/4885TTR 4691/4885ALB 4466/4885
US-20030229090-A1 1,6 Naphthyridines useful as inhibitors of SYK kinase SYK, IRAK1, BTK MEN1 3836/4885TTR 4737/4885ALB 4691/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 MEN1 3057/4885TTR 3697/4885ALB 3954/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 MEN1 4118/4885TTR 3826/4885ALB 3229/4885
US-20030158195-A1 1,6 naphthyridines useful as inhibitors of SYK kinase SYK, IRAK1, BTK MEN1 3836/4885TTR 4737/4885ALB 4691/4885

“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.