SCHEMBL2016406

SCHEMBL2016406

Cc1ccnc(Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
PIK3CG P48736 3/20 0.42
PIK3CA P42336 2/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
SYK P43405 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
KDR P35968 1/20 0.39
SRC P12931 1/20 0.39
CDK2 P24941 1/20 0.39
ZAP70 P43403 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
SCHEMBL2036628 0.85 SYK (0.45) SYKKDRSRCCDK2ZAP70
SCHEMBL1991344 0.83 SYK (0.57) SYK
SCHEMBL16876433 0.83 EGFR (0.41) EGFRPIK3CGPIK3CAABL1BCR
SCHEMBL16875968 0.82 EGFR (0.40) EGFRPIK3CGPIK3CAABL1BCR
SCHEMBL2016880 0.79 KDR (0.38) SYKNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3758531 0.75 LIPG (0.50) EGFRLMNAALOX15KMT2AKDR
SCHEMBL14088797 0.75 PIK3CA (0.62) EGFRPIK3CGPIK3CAABL1BCR
SCHEMBL18342067 0.74 EGFR (0.45) EGFRIRAK4KDRLPLLIPG
SCHEMBL16335865 0.74 EGFR (0.41) EGFRSYKNPC1RAB9AKDR
SCHEMBL15185772 0.74 PLK1 (0.52) EGFRPIK3CGPIK3CAABL1BCR

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 31 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
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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 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
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US 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
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 (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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK EGFR 1115/4885PIK3CG 774/4885PIK3CA 545/4885
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK EGFR 1336/4885PIK3CG 832/4885PIK3CA 439/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK EGFR 1336/4885PIK3CG 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.