SCHEMBL4002866

SCHEMBL4002866

NC(=O)c1cc2c[c]ccc2c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.32
PARP1 P09874 1/20 0.31
CCNC P24863 2/20 0.31
CDK8 P49336 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30

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
SCHEMBL1202420 0.80 FLT3 (0.42) MAP2K1KDM4EGAA
SCHEMBL175459 0.77 LOXL2 (0.54) LOXL2PARP1KDM4EGAA
SCHEMBL29751000 0.77 LOXL2 (0.54) LOXL2PARP1KDM4EGAA
SCHEMBL1202293 0.76 FLT3 (0.41) MAP2K1KDM4EGAA
SCHEMBL4000960 0.74 MAP2K1 (0.34) MAP2K1
SCHEMBL4002300 0.74 MAP2K1 (0.41) MAP2K1GAA
SCHEMBL4007974 0.74 MAP2K1 (0.34) MAP2K1CCNCCDK8KDM4E
SCHEMBL5091458 0.74 RHEB (0.36) MAP2K1PARP1CCNCCDK8KDM4E
SCHEMBL4010452 0.74 MAP2K1 (0.32) MAP2K1
SCHEMBL4005801 0.71 TOP2A (0.36) PARP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 US claimed
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP claimed
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 claimed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO claimed
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
EP-2068878-B1 RHO KINASE INHIBITORS AERIE PHARMACEUTICALS INC (US) 2019-04-10 EP disclosed
US-20180344723-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2018-12-06 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
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP 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

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-20160243102-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT MAP2K1 491/4885LOXL2 920/4885PARP1 1437/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT MAP2K1 491/4885LOXL2 920/4885PARP1 1437/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT MAP2K1 491/4885LOXL2 920/4885PARP1 1437/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT MAP2K1 491/4885LOXL2 920/4885PARP1 1437/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT MAP2K1 491/4885LOXL2 920/4885PARP1 1437/4885
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 MAP2K1 927/4885LOXL2 2099/4885PARP1 2298/4885

“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.