SCHEMBL1172227

SCHEMBL1172227

CS(=O)(=O)c1cccc(Nc2nccc(Cl)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 11/20 0.62
ROCK1 Q13464 1/20 0.61
SYK P43405 3/20 0.60
AURKA O14965 2/20 0.60
AURKB Q96GD4 2/20 0.60
ACVR1 Q04771 2/20 0.60
MAP4K4 O95819 1/20 0.60
ABL1 P00519 1/20 0.60
LCK P06239 1/20 0.60
MET P08581 1/20 0.60
PDGFRB P09619 1/20 0.60
FGFR1 P11362 1/20 0.60
FLT1 P17948 1/20 0.60
KDR P35968 1/20 0.60
FLT3 P36888 1/20 0.60
MAPK8 P45983 1/20 0.60
MAPK9 P45984 1/20 0.60
GSK3A P49840 1/20 0.60
GSK3B P49841 1/20 0.60
CDK9 P50750 1/20 0.60

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
SCHEMBL12325169 0.86 ROCK1 (0.62) EPHB4ROCK1SYKFLT3CDK9
SCHEMBL2431896 0.86 RAB9A (0.52) EPHB4SYKAURKAAURKBACVR1
SCHEMBL3454551 0.84 ROCK1 (0.64) EPHB4ROCK1SYKAURKAAURKB
SCHEMBL13440365 0.83 AURKA (0.67) EPHB4SYKAURKAAURKBACVR1
Hydrochloric Acid SCHEMBL12813076 0.83 ROCK1 (0.63) EPHB4ROCK1SYKAURKAAURKB
SCHEMBL12325151 0.83 EPHB4 (0.53) EPHB4SYKAURKAAURKBACVR1
SCHEMBL2466911 0.81 TNNI3K (0.59) EPHB4ROCK1SYKAURKAAURKB
SCHEMBL12325152 0.80 ALDH1A1 (0.54) CDK2JAK3NOD2
SCHEMBL12325170 0.80 TNNI3K (0.46) EPHB4ROCK1SYKAURKAAURKB
SCHEMBL2437917 0.80 EPHB4 (0.50) EPHB4SYKAURKAAURKBACVR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552214-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
CN-101374818-A Pyrimidine derivatives ASTRAZENECA AB (SE) 2009-02-25 CN disclosed
EP-1981856-A2 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 EPHB4 2462/4885ROCK1 442/4885SYK 409/4885
US-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 EPHB4 1/4885ROCK1 539/4885SYK 78/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 EPHB4 1932/4885ROCK1 402/4885SYK 449/4885

“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.