SCHEMBL2014313

SCHEMBL2014313

Cc1cc(Br)cc(Nc2nccc(C(C)C)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
KDR P35968 10/20 0.44
SYK P43405 8/20 0.44
SRC P12931 6/20 0.44
ZAP70 P43403 6/20 0.44
CDK2 P24941 4/20 0.43
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
CDK4 P11802 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL16876324 0.89 PIK3CA (0.43) PIK3CAPIK3CGKDRSYKSRC
SCHEMBL2017518 0.88 PIK3CA (0.44) PIK3CAPIK3CGKDRSYKSRC
SCHEMBL2017502 0.82 SYK (0.52) PIK3CAPIK3CGKDRSYKSRC
SCHEMBL17026203 0.80 SYK (0.43) PIK3CAPIK3CGKDRSYKSRC
SCHEMBL15181325 0.79 SCN9A (0.52) KDRSYKCDK2CDK4GSK3B
SCHEMBL2021695 0.78 SYK (0.56) PIK3CAPIK3CGKDRSYKSRC
SCHEMBL1982466 0.77 SYK (0.61) SYK
SCHEMBL16876253 0.77 SYK (0.46) PIK3CAPIK3CGKDRSYKSRC
SCHEMBL16876203 0.76 SYK (0.51) SYK
SCHEMBL16750005 0.76 SYK (0.55) PIK3CAPIK3CGKDRSYKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513098-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-09 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
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 PIK3CA 439/4885PIK3CG 832/4885KDR 1195/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK PIK3CA 439/4885PIK3CG 832/4885KDR 1195/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK PIK3CA 439/4885PIK3CG 832/4885KDR 1195/4885

“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.