SCHEMBL2021695

SCHEMBL2021695

COc1ccnc(Nc2cc(C)cc(Br)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.56
PIK3CG P48736 2/20 0.45
PIK3CA P42336 1/20 0.45
SRC P12931 3/20 0.44
ZAP70 P43403 3/20 0.44
KDR P35968 3/20 0.44
CDK2 P24941 4/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 1/20 0.43
PIK3CB P42338 1/20 0.43
IGF1R P08069 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL17026203 0.85 SYK (0.43) SYKPIK3CGPIK3CASRCZAP70
SCHEMBL16885190 0.84 CDK2 (0.45) SYKPIK3CGPIK3CASRCZAP70
SCHEMBL16820264 0.83 SYK (0.56) SYKSRCZAP70KDRCDK2
SCHEMBL2017502 0.82 SYK (0.52) SYKPIK3CGPIK3CASRCZAP70
SCHEMBL17026426 0.80 SYK (0.53) SYKSRCZAP70KDRCDK2
SCHEMBL16964374 0.78 CDK2 (0.40) SYKPIK3CGPIK3CASRCZAP70
SCHEMBL2014313 0.78 PIK3CA (0.45) SYKPIK3CGPIK3CASRCZAP70
SCHEMBL16750011 0.77 SYK (0.64) SYKKDR
Methane SCHEMBL16876288 0.77 CDK2 (0.39) SYKPIK3CGPIK3CASRCZAP70
SCHEMBL1982466 0.77 SYK (0.61) SYK

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 27 patents — showing the first 20. 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
EP-2863916-B1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
EP-2900665-B1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-01-03 EP disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 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-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
EP-2863916-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (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-2013192098-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (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-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO 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 (3 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK SYK 1/4885PIK3CG 832/4885PIK3CA 439/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK SYK 1/4885PIK3CG 832/4885PIK3CA 439/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK SYK 1/4885PIK3CG 832/4885PIK3CA 439/4885

“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.