SCHEMBL4008459

SCHEMBL4008459

O=C(COc1ccc(Cl)cc1)Nc1ccc2c(=O)[nH]ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.58
P2RY14 Q15391 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BRD4 O60885 1/20 0.52
MAPT P10636 3/20 0.50
CETP P11597 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 2/20 0.48
MCHR1 Q99705 2/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 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
SCHEMBL4004741 0.79 CYP1A2 (0.53) ROCK2MEN1KMT2AALDH1A1MAPT
SCHEMBL2610071 0.78 MEN1 (0.85) P2RY14MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL16082990 0.78 MEN1 (0.85) P2RY14MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4003989 0.75 POLB (0.59) KMT2AALDH1A1
SCHEMBL4009754 0.75 ROCK2 (0.60) ROCK2
SCHEMBL4005566 0.74 ROCK2 (0.64) ROCK2MAPT
SCHEMBL4003690 0.74 HDAC1 (0.53) ROCK2ALDH1A1L3MBTL1SMN1; SMN2MAPT
SCHEMBL25436011 0.74 NPC1 (0.69) P2RY14MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4003858 0.73 ROCK2 (0.61) ROCK2MEN1KMT2AALDH1A1MAPT
SCHEMBL4147894 0.72 ROCK2 (0.58) ROCK2ALDH1A1MAPTLMNAGAA

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 26 patents — showing the first 20. 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
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-20160243102-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2016-08-25 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-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 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
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
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 (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 2/4885P2RY14 1987/4885MEN1 3639/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885P2RY14 1987/4885MEN1 3639/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT ROCK2 2/4885P2RY14 1987/4885MEN1 3639/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885P2RY14 1987/4885MEN1 3639/4885
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 2/4885P2RY14 2162/4885MEN1 2638/4885

“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.