SCHEMBL16637839

SCHEMBL16637839

COc1ccc2c(c1)CN(c1nc3c(c(Nc4ccc5[nH]ncc5c4)n1)CN(C)C3)C2

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.87
ROCK1 Q13464 8/20 0.79
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL16638039 0.93 ROCK2 (1.00) ROCK2ROCK1HTR2AHTR2C
SCHEMBL16637768 0.89 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL16648334 0.89 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL16648317 0.89 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17986448 0.88 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL16648359 0.87 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL18792306 0.86 ROCK2 (0.89) ROCK2ROCK1
SCHEMBL16638018 0.86 ROCK1 (1.00) ROCK2ROCK1HTR2C
SCHEMBL16638037 0.85 ROCK2 (0.77) ROCK2ROCK1
SCHEMBL16637886 0.85 ROCK2 (0.68) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (5 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 2/4885HTR2A 2080/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885HTR2A 2080/4885
US-20170112832-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885HTR2A 2817/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 ROCK2 1/4885ROCK1 2/4885HTR2A 2957/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885HTR2A 2817/4885

“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.