SCHEMBL5097284

SCHEMBL5097284

NC(C(=O)Nc1ccc2c(=O)[nH]ccc2c1)C1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.68
ROCK1 Q13464 2/20 0.49
EPHX1 P07099 1/20 0.47
CDC42 P60953 1/20 0.43
PKN2 Q16513 1/20 0.43
AAK1 Q2M2I8 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HTR1E P28566 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR3 Q99500 1/20 0.42
RXFP2 Q8WXD0 1/20 0.42
S1PR1 P21453 1/20 0.41

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
SCHEMBL4003438 1.00 ROCK2 (0.68) ROCK2ROCK1EPHX1CDC42PKN2
SCHEMBL4009190 0.81 ROCK2 (1.00) ROCK2ROCK1CDC42PKN2
SCHEMBL3997905 0.81 ROCK2 (1.00) ROCK2ROCK1CDC42PKN2
SCHEMBL3997901 0.81 ROCK2 (1.00) ROCK2ROCK1CDC42PKN2
SCHEMBL4005321 0.79 ROCK2 (0.74) ROCK2ROCK1CDC42PKN2AAK1
SCHEMBL4005312 0.79 ROCK2 (0.74) ROCK2ROCK1CDC42PKN2AAK1
SCHEMBL4007866 0.79 ROCK2 (0.74) ROCK2ROCK1CDC42PKN2AAK1
SCHEMBL4003643 0.77 ROCK2 (0.75) ROCK2ROCK1CDC42PKN2NPC1
SCHEMBL4003637 0.77 ROCK2 (0.75) ROCK2ROCK1CDC42PKN2NPC1
SCHEMBL4009754 0.75 ROCK2 (0.60) ROCK2ROCK1CDC42PKN2

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 10 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
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
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
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

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 ROCK2 2/4885ROCK1 1/4885EPHX1 832/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885EPHX1 832/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885EPHX1 832/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885EPHX1 832/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885EPHX1 832/4885
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 1/4885EPHX1 248/4885

“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.