SCHEMBL16637689

SCHEMBL16637689

COc1nc(S(C)(=O)=O)nc(Nc2ccc3[nH]ncc3c2)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.59
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
TNIK Q9UKE5 1/20 0.43
ROCK1 Q13464 4/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
PRKG1 Q13976 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAOB P27338 1/20 0.43
MAPK1 P28482 1/20 0.43
HSF1 Q00613 1/20 0.43
KDR P35968 1/20 0.43
SYK P43405 1/20 0.42

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
SCHEMBL16637787 0.80 ROCK2 (0.61) ROCK2RETIGF1RMKNK1EGFR
SCHEMBL28025875 0.80 ROCK2 (0.58) ROCK2RETIGF1RMKNK1EGFR
SCHEMBL16637894 0.74 ROCK2 (0.60) ROCK2MKNK1ROCK1MAPK1HSF1
SCHEMBL16638040 0.74 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL16637786 0.70 ROCK2 (0.50) ROCK2RETIGF1RMKNK1EGFR
SCHEMBL4008607 0.69 MAPK1 (0.67) ROCK2NPC1RAB9AROCK1MAPK1
SCHEMBL4007098 0.68 MEN1 (0.61) IGF1RNPC1RAB9APOLBMAOB
SCHEMBL16963986 0.67 MKNK1 (0.65) RETMKNK1EGFRERBB2MAPK1
SCHEMBL10179696 0.67 TMEM97 (0.52) ROCK2RAB9APOLBROCK1GSK3B
SCHEMBL15639979 0.67 RET (0.60) ROCK2RETIGF1RMKNK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed
US-10125144-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2018-11-13 US disclosed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US disclosed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US disclosed
EP-3055301-A1 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2016-08-17 EP disclosed
CN-104903312-A RHO KINASE INHIBITORS KADMON CORP LLC 2015-09-09 CN disclosed
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 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 (2 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-20160237095-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885RET 1028/4885IGF1R 3735/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885RET 1028/4885IGF1R 3735/4885

“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.