SCHEMBL7300646

SCHEMBL7300646

CC(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 1.00
ROCK1 Q13464 4/20 0.64
PKN2 Q16513 4/20 0.64
CDC42 P60953 3/20 0.64

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
SCHEMBL4002373 0.85 ROCK2 (0.74) ROCK2ROCK1PKN2CDC42
SCHEMBL17182065 0.85 ROCK2 (0.78) ROCK2ROCK1PKN2CDC42
SCHEMBL6326653 0.84 ROCK2 (0.72) ROCK2ROCK1PKN2CDC42
SCHEMBL15958752 0.82 ROCK2 (0.70) ROCK2ROCK1PKN2CDC42
SCHEMBL20882054 0.82 ROCK2 (0.70) ROCK2ROCK1PKN2CDC42
SCHEMBL4005552 0.82 ROCK2 (1.00) ROCK2ROCK1PKN2CDC42
SCHEMBL5090736 0.82 ROCK2 (0.77) ROCK2ROCK1PKN2CDC42
SCHEMBL4005986 0.82 ROCK2 (0.72) ROCK2ROCK1PKN2CDC42
SCHEMBL20873723 0.82 ROCK2 (0.73) ROCK2ROCK1PKN2CDC42
SCHEMBL5091411 0.82 ROCK2 (0.77) ROCK2ROCK1PKN2CDC42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-20160243102-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2016-08-25 US disclosed
US-20150297581-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2015-10-22 US disclosed
US-20140357652-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2014-12-04 US disclosed
US-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US disclosed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO disclosed
EP-0482939-A1 Isoquinolinone derivative ONO PHARMACEUTICAL CO., LTD. (JP) 1992-04-29 EP 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-20160243102-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885PKN2 377/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885PKN2 377/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885PKN2 377/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885PKN2 377/4885
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885PKN2 658/4885

“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.