SCHEMBL13737619

SCHEMBL13737619

Nc1cc(Br)nc(Nc2cc(C(F)(F)F)ccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.49
NOS2 P35228 1/20 0.49
SYK P43405 7/20 0.48
IDH2 P48735 1/20 0.45
MAP3K12 Q12852 9/20 0.42
MAPK1 P28482 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
SCHEMBL15829252 0.86 SYK (0.49) NOS3NOS2SYKIDH2MAP3K12
SCHEMBL13726067 0.83 SYK (0.62) SYKIDH2MAP3K12
SCHEMBL15819732 0.81 SYK (0.46) NOS3NOS2SYKIDH2MAP3K12
SCHEMBL1704454 0.80 KARS1 (0.50) NOS3NOS2SYKIDH2MAP3K12
SCHEMBL16840115 0.78 KCNH2 (0.46) MAP3K12
SCHEMBL13737025 0.78 SYK (0.46) SYKIDH2MAP3K12
SCHEMBL15819813 0.77 SYK (0.47) NOS3NOS2SYKIDH2MAP3K12
SCHEMBL13823683 0.76 IDH2 (0.49) SYKIDH2MAP3K12
SCHEMBL15990843 0.75 SYK (0.76) SYKIDH2
SCHEMBL20490758 0.74 SYK (0.43) NOS3NOS2SYKIDH2MAP3K12

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934525-B1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-05-08 EP disclosed
EP-2863914-B1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-10-03 EP disclosed
EP-2706852-B1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-22 EP disclosed
US-9598405-B2 Thiazole-substituted aminopyridines as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-21 US disclosed
US-9487504-B2 Imidazolyl analogs as syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-9487504-B2 Imidazolyl analogs as syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-08 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-20150353535-A1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 US disclosed
EP-2863914-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-04-29 EP disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 US disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 US disclosed
US-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-09-04 US disclosed
WO-2014100314-A1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
EP-2706852-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-19 EP disclosed
WO-2013192125-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-12-27 WO disclosed
WO-2012154518-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 WO disclosed
WO-2012154518-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-15 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-20140249130-A1 BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK NOS3 513/4885NOS2 305/4885SYK 1/4885
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS SYK, BTK, LCK NOS3 327/4885NOS2 225/4885SYK 1/4885
US-20150353535-A1 THIAZOLE-SUBSTITUTED AMINOPYRIDINES AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, JAK2 NOS3 690/4885NOS2 630/4885SYK 1/4885

“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.