SCHEMBL2017018

SCHEMBL2017018

Cc1cc(Nc2nccc(C(C)C)n2)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.40
SYK P43405 8/20 0.39
SRC P12931 5/20 0.38
ZAP70 P43403 5/20 0.38
CDK2 P24941 3/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
HTR3A P46098 1/20 0.36
ABL1 P00519 1/20 0.34
BCR P11274 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
SCHEMBL16876134 0.91 KDR (0.39) KDRSYKSRCZAP70CDK2
SCHEMBL2035466 0.90 KDR (0.40) KDRSYKSRCZAP70CDK2
SCHEMBL2036628 0.86 SYK (0.45) KDRSYKSRCZAP70CDK2
SCHEMBL2506853 0.86 HTR3A (0.34) KDRSYKHTR3A
SCHEMBL13896088 0.84 SYK (0.39) KDRSYKSRCZAP70CDK2
SCHEMBL2013276 0.82 KDR (0.43) KDRSYKSRCZAP70CDK2
SCHEMBL2015047 0.82 SYK (0.48) KDRSYKSRCZAP70CDK2
SCHEMBL16876503 0.81 KDR (0.37) KDRSYKSRCZAP70CDK2
SCHEMBL1981319 0.81 SYK (0.53) SYK
SCHEMBL2036402 0.80 SYK (0.48) KDRSYKSRCZAP70CDK2

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 22 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-2706853-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2017-06-14 EP disclosed
EP-2513098-B1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-09 EP disclosed
US-9290490-B2 Aminopyrimidines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
US-9290490-B2 Aminopyrimidines as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-03-22 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
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-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-05-29 US disclosed
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-05-29 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
WO-2012154519-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 WO 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
WO-2011075515-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 1329/4885SYK 1/4885SRC 18/4885
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK KDR 1195/4885SYK 1/4885SRC 38/4885
US-20140148474-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK KDR 1055/4885SYK 1/4885SRC 26/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK KDR 1195/4885SYK 1/4885SRC 38/4885

“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.