SCHEMBL16637787

SCHEMBL16637787

COc1nc(SC)nc(Nc2ccc3[nH]ncc3c2)c1OC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.61
IGF1R P08069 1/20 0.49
RET P07949 1/20 0.49
KDR P35968 3/20 0.47
MKNK1 Q9BUB5 1/20 0.46
SYK P43405 1/20 0.46
TNIK Q9UKE5 1/20 0.45
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
ROCK1 Q13464 4/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
PRKG1 Q13976 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAOB P27338 1/20 0.42
CDC7 O00311 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
SCHEMBL16637786 0.88 ROCK2 (0.50) ROCK2IGF1RRETKDRMKNK1
SCHEMBL16637689 0.80 ROCK2 (0.59) ROCK2IGF1RRETKDRMKNK1
SCHEMBL28025875 0.79 ROCK2 (0.58) ROCK2IGF1RRETKDRMKNK1
SCHEMBL16638040 0.76 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL6639550 0.74 SYK (0.53) ROCK2IGF1RRETKDRMKNK1
SCHEMBL16637932 0.73 ROCK2 (0.61) ROCK2MKNK1SYKROCK1
SCHEMBL6771473 0.71 SYK (0.66) ROCK2MKNK1SYKEGFRROCK1
SCHEMBL6769085 0.70 SYK (0.52) ROCK2KDRMKNK1SYKEGFR
SCHEMBL6606097 0.70 MAPKAPK2 (0.67) ROCK2IGF1RKDRROCK1
SCHEMBL6769928 0.70 RPS6KB1 (0.52) ROCK2KDRSYKEGFRERBB2

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
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 WO 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 1/4885IGF1R 3735/4885RET 1028/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885IGF1R 3735/4885RET 1028/4885

“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.