SCHEMBL16637837

SCHEMBL16637837

COc1ccc2cn(-c3nc4c(c(Nc5ccc6[nH]ncc6c5)n3)CN(C)C4)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.64
ROCK1 Q13464 8/20 0.58
TNIK Q9UKE5 1/20 0.44

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
SCHEMBL17986447 0.93 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL16637839 0.85 ROCK2 (0.87) ROCK2ROCK1
SCHEMBL20553633 0.84 ROCK2 (0.59) ROCK2ROCK1
SCHEMBL16638028 0.81 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL17164486 0.80 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL17164488 0.80 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL16638039 0.78 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17164484 0.76 ROCK2 (0.69) ROCK2ROCK1
SCHEMBL17986448 0.74 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL16648334 0.73 ROCK2 (0.81) ROCK2ROCK1

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 5 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
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
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

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 1/4885ROCK1 2/4885TNIK 85/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885TNIK 85/4885

“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.