SCHEMBL3221398

SCHEMBL3221398

Cc1cc2c(=O)[nH]ccc2cc1OC1CCCNCC1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.83
MAP2K1 Q02750 3/20 0.58
ROCK2 O75116 5/20 0.58
PRKCD Q05655 2/20 0.58
PRKACA P17612 1/20 0.58
PRKG1 Q13976 1/20 0.58
PKN1 Q16512 1/20 0.58
PKN2 Q16513 1/20 0.58
AAK1 Q2M2I8 1/20 0.58
CDC42BPA Q5VT25 1/20 0.58
Q6ZSR9 Q6ZSR9 1/20 0.58
BMP2K Q9NSY1 1/20 0.58
CDC42BPB Q9Y5S2 1/20 0.58
PRKX P51817 1/20 0.54
PRKCE Q02156 1/20 0.54
PRKD1 Q15139 1/20 0.54
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
Hydrochloric Acid SCHEMBL3233573 0.99 ROCK1 (0.81) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL2570892 0.95 ROCK1 (0.74) ROCK1MAP2K1ROCK2PRKCDPRKACA
Hydrochloric Acid SCHEMBL2574109 0.94 ROCK1 (0.73) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL4009033 0.91 ROCK1 (1.00) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8987606 0.91 ROCK1 (1.00) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL4009031 0.91 ROCK1 (1.00) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8938640 0.89 ROCK1 (0.76) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL3231265 0.88 ROCK1 (0.87) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL3229011 0.88 ROCK1 (0.87) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL3228999 0.88 ROCK1 (0.87) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102187-B1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI SA (FR) 2015-04-01 EP disclosed
EP-2102187-B1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI SA (FR) 2015-04-01 EP disclosed
US-8461144-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2013-06-11 US disclosed
US-8461144-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2013-06-11 US disclosed
US-8461144-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2013-06-11 US disclosed
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES SANOFI (FR) 2012-12-13 US disclosed
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES SANOFI (FR) 2012-12-13 US disclosed
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES SANOFI (FR) 2012-12-13 US disclosed
US-8278294-B2 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of Rho-kinase SANOFI (FR) 2012-10-02 US disclosed
US-8278294-B2 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of Rho-kinase SANOFI (FR) 2012-10-02 US disclosed
US-8278294-B2 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of Rho-kinase SANOFI (FR) 2012-10-02 US disclosed
US-20100063025-A1 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase SANOFI-AVENTIS (FR) 2010-03-11 US disclosed
US-20100063025-A1 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase SANOFI-AVENTIS (FR) 2010-03-11 US disclosed
US-20100063025-A1 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase SANOFI-AVENTIS (FR) 2010-03-11 US disclosed
EP-2102187-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE Sanofi-Aventis (FR) 2009-09-23 EP disclosed
WO-2008077550-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES AS INHIBITORS OF RHO-KINASE 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

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-20100063025-A1 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase ROCK1, MYLK, ROCK2 ROCK1 1/4885MAP2K1 909/4885ROCK2 3/4885
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES MYLK2, RHOT2, MYLK ROCK1 11/4885MAP2K1 1731/4885ROCK2 9/4885

“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.