SCHEMBL2337835

SCHEMBL2337835

Cc1cc2c(=O)[nH]ccc2cc1OC1CCC(N)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.66
MAP2K1 Q02750 2/20 0.50
ROCK2 O75116 5/20 0.46
PRKCD Q05655 2/20 0.46
PRKACA P17612 1/20 0.46
PRKG1 Q13976 1/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
CDC42BPA Q5VT25 1/20 0.46
Q6ZSR9 Q6ZSR9 1/20 0.46
BMP2K Q9NSY1 1/20 0.46
CDC42BPB Q9Y5S2 1/20 0.46
PRKX P51817 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKD1 Q15139 1/20 0.40
MAPK14 Q16539 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
SCHEMBL2337837 1.00 ROCK1 (0.66) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL2338400 1.00 ROCK1 (0.66) ROCK1MAP2K1ROCK2PRKCDPRKACA
Hydrochloric Acid SCHEMBL2340314 0.99 ROCK1 (0.65) ROCK1MAP2K1ROCK2PRKCDPRKACA
Hydrochloric Acid SCHEMBL2335190 0.99 ROCK1 (0.65) ROCK1MAP2K1ROCK2PRKCDPRKACA
Hydrochloric Acid SCHEMBL2335187 0.99 ROCK1 (0.65) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL3206222 0.95 ROCK1 (0.67) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL3206216 0.95 ROCK1 (0.67) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL3206238 0.95 ROCK1 (0.67) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8938640 0.87 ROCK1 (0.76) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL2570892 0.86 ROCK1 (0.74) ROCK1MAP2K1ROCK2PRKCDPRKACA

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
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
US-8796458-B2 Cyclohexylamine isoquinolone derivatives SANOFI (FR) 2014-08-05 US disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-8609691-B2 Cyclohexylamin isoquinolone derivatives SANOFI (FR) 2013-12-17 US disclosed
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
EP-1912949-B1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI SA (FR) 2011-08-24 EP disclosed
EP-1912949-B1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI SA (FR) 2011-08-24 EP disclosed
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-03-04 US disclosed
EP-2125745-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 EP disclosed
US-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one SANOFI-AVENTIS (FR) 2008-10-02 US disclosed
WO-2008077551-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1912949-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS Sanofi-Aventis (FR) 2008-04-23 EP disclosed
WO-2007012422-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 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 (3 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-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one MYLK, MYLK2, ROCK1 ROCK1 3/4885MAP2K1 460/4885ROCK2 5/4885
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES MYLK2, MYLK, MYLK3 ROCK1 7/4885MAP2K1 1417/4885ROCK2 10/4885
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES MYLK, MYLK2, MYLK3 ROCK1 6/4885MAP2K1 1721/4885ROCK2 8/4885

“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.