SCHEMBL2020331

SCHEMBL2020331

Cc1ccnc(Nc2cc(Br)cc(C3CC3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
KCNH2 Q12809 2/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
SYK P43405 7/20 0.39
CDK2 P24941 2/20 0.39
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
IGF1R P08069 1/20 0.38
HTR3A P46098 1/20 0.37
SRC P12931 1/20 0.36
ZAP70 P43403 1/20 0.36

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
SCHEMBL2504479 0.84 SYK (0.46) KDRSYKCDK2PIK3CAPIK3CG
SCHEMBL2017502 0.80 SYK (0.52) KDRSYKCDK2PIK3CAPIK3CG
SCHEMBL2016880 0.77 KDR (0.38) KDRKCNH2SCN5ASCN9ASYK
SCHEMBL16750005 0.76 SYK (0.55) KDRSYKCDK2PIK3CAPIK3CG
SCHEMBL16198331 0.67 KDR (0.47) KDRSCN9ASYKCDK2PIK3CA
SCHEMBL4624975 0.67 NPC1 (0.65) KDRSYKCDK2
SCHEMBL10225814 0.67 SCN9A (0.58) KDRKCNH2SCN5ASCN9ASYK
SCHEMBL17037408 0.67 MAP3K12 (0.47) KDRSYKIGF1R
SCHEMBL20388591 0.66 SYK (0.55) SYK
SCHEMBL24507552 0.66 ABL1 (0.62) SYKCDK2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863914-B1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-10-03 EP disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
EP-2863914-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-04-29 EP disclosed
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
WO-2013192125-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-12-27 WO disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 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 (4 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK KDR 1329/4885KCNH2 3470/4885SCN5A 3706/4885
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK KDR 1195/4885KCNH2 3461/4885SCN5A 3309/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK KDR 1195/4885KCNH2 3461/4885SCN5A 3309/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK KDR 1195/4885KCNH2 3461/4885SCN5A 3309/4885

“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.