SCHEMBL1704454

SCHEMBL1704454

FC(F)(F)c1ccnc(Nc2cccc(Br)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.50
AURKA O14965 2/20 0.48
IDH2 P48735 1/20 0.46
SYK P43405 2/20 0.46
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
RIOK2 Q9BVS4 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
MAPK1 P28482 1/20 0.42
MAP3K12 Q12852 5/20 0.41
TEAD1 P28347 1/20 0.41

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 0.82 SYK (0.49) IDH2SYKNOS3NOS2TAS2R14
SCHEMBL904195 0.82 SYK (0.52) KARS1AURKAIDH2SYKMAP3K12
SCHEMBL13726067 0.80 SYK (0.62) IDH2SYKMAP3K12
SCHEMBL13737619 0.80 NOS3 (0.49) IDH2SYKNOS3NOS2MAPK1
SCHEMBL16876450 0.80 TAS2R14 (0.51) KARS1AURKAIDH2SYKNOS3
SCHEMBL15819732 0.78 SYK (0.46) IDH2SYKNOS3NOS2RIOK2
SCHEMBL902909 0.78 KARS1 (0.63) KARS1AURKAIDH2SYK
SCHEMBL16820257 0.77 GRM4 (0.43) KARS1SYKRIOK2
SCHEMBL901321 0.77 KARS1 (0.57) KARS1SYKNOS2
SCHEMBL13827435 0.77 KDR (0.42) KARS1SYK

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 25 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-2863913-B1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-12 EP disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 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-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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 US disclosed
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 US disclosed
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 US disclosed
US-20140100250-A1 PYRIDYL AMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2014-04-10 US disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP 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 KARS1 931/4885AURKA 796/4885IDH2 3850/4885
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 KARS1 780/4885AURKA 722/4885IDH2 4101/4885
US-20140100250-A1 PYRIDYL AMINOPYRIDINES AS SYK INHIBITORS SYK, BTK, LCK KARS1 841/4885AURKA 278/4885IDH2 3098/4885
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS SYK, BTK, LCK KARS1 904/4885AURKA 658/4885IDH2 2679/4885

“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.