SCHEMBL4010961

SCHEMBL4010961

O=C(CNCc1ccccc1)Nc1ccc2c(=O)[nH]cnc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.76
IP6K1 Q92551 2/20 0.55
NAMPT P43490 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ROCK1 Q13464 1/20 0.49
PKN2 Q16513 1/20 0.49
NPY5R Q15761 1/20 0.49
RECQL P46063 1/20 0.49
TEK Q02763 4/20 0.47
KDR P35968 3/20 0.47
EPHB4 P54760 3/20 0.47
MGLL Q99685 1/20 0.47
EGFR P00533 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47

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
SCHEMBL4876359 0.84 ROCK2 (0.71) ROCK2IP6K1ROCK1TEKKDR
SCHEMBL20882078 0.82 ROCK2 (0.61) ROCK2BCHEACHEKDM4EALDH1A1
SCHEMBL4008785 0.81 ROCK2 (0.60) ROCK2IP6K1KDM4EALDH1A1TEK
SCHEMBL20882041 0.79 ROCK2 (0.53) ROCK2IP6K1BCHEACHEALDH1A1
SCHEMBL4002383 0.78 ROCK2 (0.57) ROCK2IP6K1KDM4EALDH1A1TEK
SCHEMBL4001541 0.77 ROCK2 (0.56) ROCK2KDM4EALDH1A1GAATEK
SCHEMBL4008308 0.77 ROCK2 (0.67) ROCK2IP6K1NAMPTROCK1TEK
SCHEMBL4008313 0.77 ROCK2 (0.67) ROCK2IP6K1NAMPTROCK1TEK
SCHEMBL4008855 0.77 ROCK2 (0.67) ROCK2IP6K1NAMPTROCK1TEK
SCHEMBL8211980 0.75 ROCK2 (0.53) ROCK2NAMPTBCHEACHEALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US claimed
US-20180344723-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2018-12-06 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-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 2/4885IP6K1 347/4885NAMPT 1568/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885IP6K1 347/4885NAMPT 1568/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT ROCK2 2/4885IP6K1 347/4885NAMPT 1568/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885IP6K1 347/4885NAMPT 1568/4885
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 2/4885IP6K1 316/4885NAMPT 4121/4885

“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.