SCHEMBL2504479

SCHEMBL2504479

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.46
PIK3CG P48736 3/20 0.46
PIK3CA P42336 2/20 0.46
KDR P35968 4/20 0.45
SRC P12931 3/20 0.43
ZAP70 P43403 3/20 0.43
CDK2 P24941 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
PIK3CB P42338 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 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
SCHEMBL2017502 0.92 SYK (0.52) SYKPIK3CGPIK3CAKDRSRC
SCHEMBL2020331 0.84 KDR (0.43) SYKPIK3CGPIK3CAKDRSRC
SCHEMBL16198331 0.77 KDR (0.47) SYKPIK3CGPIK3CAKDRSRC
SCHEMBL4624975 0.77 NPC1 (0.65) SYKKDRCDK2NPC1RAB9A
SCHEMBL10225814 0.77 SCN9A (0.58) SYKKDRCDK2NPC1RAB9A
SCHEMBL16820238 0.76 SYK (0.52) SYKKDRSRCZAP70CDK2
SCHEMBL2016999 0.76 SYK (0.65) SYK
SCHEMBL14088797 0.75 PIK3CA (0.62) SYKPIK3CGPIK3CAKDRSRC
SCHEMBL14088802 0.74 IGF1R (0.62) PIK3CGPIK3CAKDRZAP70CDK2
SCHEMBL2014313 0.74 PIK3CA (0.45) SYKPIK3CGPIK3CAKDRSRC

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 13 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
CN-102858767-B As the aminopyrimidine of SYK inhibitor MERCK SHARP & DOHME CORP. (US) 2015-08-19 CN 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
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
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US 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 SYK 1/4885PIK3CG 774/4885PIK3CA 545/4885
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.