Sugi Predict

Sugi Predict / Compounds / SCHEMBL4000962

SCHEMBL4000962

SCHEMBL4000962

Nc1cc2cc[nH]c(=O)c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ MELK Q14680 1/20 0.43
▸ STK24 Q9Y6E0 1/20 0.43
▸ ATIC P31939 2/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ ROCK2 O75116 7/20 0.40
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ CHEK1 O14757 2/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ PRKG1 Q13976 1/20 0.36

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
SCHEMBL17801551 0.93 PARP1 (0.44) PARP1RECQLTDP1JAK2RPS6KA3
SCHEMBL3314460 0.85 GPR84 (0.52) PARP1ATICGRM5ROCK2GPR84
SCHEMBL6324485 0.79 ROCK1 (0.45) PARP1RECQLTDP1JAK2RPS6KA3
SCHEMBL12034618 0.79 PARP1 (0.44) PARP1ATICGRM5ROCK2GPR84
SCHEMBL17787008 0.79 PARP1 (0.44) PARP1ATICGRM5ROCK2GPR84
SCHEMBL4000783 0.79 ROCK2 (0.54) PARP1RECQLTDP1ROCK2ROCK1
SCHEMBL16294011 0.79 PARP1 (0.44) PARP1ATICGRM5ROCK2GPR84
SCHEMBL4002310 0.79 TYMS (0.50) PARP1RECQLTDP1JAK2RPS6KA3
Hydrochloric Acid SCHEMBL4002322 0.77 TYMS (0.49) PARP1RECQLTDP1JAK2RPS6KA3
SCHEMBL2337851 0.75 PARP1 (0.44) PARP1ATICGRM5ROCK2GPR84

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 PARP1 1437/4885RECQL 580/4885TDP1 866/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT PARP1 1437/4885RECQL 580/4885TDP1 866/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT PARP1 1437/4885RECQL 580/4885TDP1 866/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT PARP1 1437/4885RECQL 580/4885TDP1 866/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT PARP1 1437/4885RECQL 580/4885TDP1 866/4885
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 PARP1 2298/4885RECQL 265/4885TDP1 1921/4885

“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.