SCHEMBL16637772

SCHEMBL16637772

COc1ccc2cn(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc2c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.69
ROCK1 Q13464 5/20 0.69
AURKA O14965 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
TTK P33981 1/20 0.47
KDR P35968 1/20 0.45

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
SCHEMBL16637607 0.86 ROCK2 (0.66) ROCK2ROCK1CDK2
SCHEMBL28776995 0.83 ROCK2 (0.66) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL29674616 0.83 ROCK2 (0.66) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL29674653 0.83 ROCK2 (0.66) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL28776986 0.83 ROCK2 (0.66) ROCK2ROCK1AURKACCNA2CDK2
SCHEMBL17164484 0.82 ROCK2 (0.69) ROCK2ROCK1KDR
SCHEMBL16637613 0.82 ROCK2 (0.49) ROCK2ROCK1CDK2KDR
SCHEMBL16637714 0.82 ROCK2 (0.56) ROCK2ROCK1CDK2KDR
SCHEMBL16637773 0.82 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL29674683 0.81 ROCK2 (0.65) ROCK2ROCK1AURKACCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125144-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2018-11-13 US claimed
US-20260034127-A1 TREATMENT OF GVHD KADMON CORP LLC (FR) 2026-02-05 US disclosed
US-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 US disclosed
US-11311541-B2 Treatment of GVHD KADMON CORPORATION, LLC (US) 2022-04-26 US 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-20170112832-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC 2017-04-27 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-2015157556-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC (US) 2015-10-15 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 (6 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 1/4885ROCK1 2/4885AURKA 646/4885
US-20260034127-A1 TREATMENT OF GVHD ROCK2, RHOA, MYH2 ROCK2 1/4885ROCK1 4/4885AURKA 2056/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885AURKA 646/4885
US-20170112832-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885AURKA 2641/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 ROCK2 1/4885ROCK1 2/4885AURKA 2450/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885AURKA 2641/4885

“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.