SCHEMBL1551815

SCHEMBL1551815

Cc1cc2c(=O)[nH]ccc2cc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.45
PARP1 P09874 1/20 0.44
ATIC P31939 5/20 0.44
ROCK2 O75116 7/20 0.43
GPR84 Q9NQS5 1/20 0.41
GRM5 P41594 1/20 0.41
CHEK1 O14757 1/20 0.37
MAPK14 Q16539 1/20 0.36
PRKACA P17612 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKG1 Q13976 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36
Q6ZSR9 Q6ZSR9 1/20 0.36
BMP2K Q9NSY1 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL12034618 0.93 PARP1 (0.44) ROCK1PARP1ATICROCK2GPR84
SCHEMBL17321356 0.85 PARP1 (0.50) ROCK1PARP1ROCK2GRM5CHEK1
SCHEMBL3314460 0.85 GPR84 (0.52) ROCK1PARP1ATICROCK2GPR84
SCHEMBL26727493 0.79 ROCK1 (0.45) ROCK1PARP1ROCK2GRM5CHEK1
SCHEMBL2337851 0.79 PARP1 (0.44) ROCK1PARP1ATICROCK2GPR84
SCHEMBL4008761 0.79 ROCK2 (0.47) ROCK1PARP1ROCK2GRM5MAPK14
SCHEMBL6324485 0.79 ROCK1 (0.45) ROCK1PARP1ROCK2GRM5CHEK1
SCHEMBL1412087 0.79 ROCK2 (0.54) ROCK1PARP1ATICROCK2CHEK1
SCHEMBL17801551 0.79 PARP1 (0.44) ROCK1PARP1ATICROCK2GPR84
SCHEMBL15814720 0.78 ATIC (0.41) ROCK1PARP1ATICROCK2GPR84

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 53 patents — showing the first 20. 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-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
EP-2102187-B1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI SA (FR) 2015-04-01 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-8710077-B2 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-04-29 US disclosed
US-8710077-B2 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-04-29 US disclosed
US-8710077-B2 Cycloalkylamine substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-04-29 US disclosed
US-8609691-B2 Cyclohexylamin isoquinolone derivatives SANOFI (FR) 2013-12-17 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US 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-2008077556-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
WO-2008077550-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
WO-2008077556-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO 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
EP-1910333-A1 PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS Sanofi-Aventis (FR) 2008-04-16 EP disclosed
WO-2007012421-A1 PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 WO 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 (2 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-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 ROCK1 8/4885PARP1 1294/4885ATIC 4279/4885
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 3/4885PARP1 2388/4885ATIC 3989/4885

“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.