SCHEMBL3229899

SCHEMBL3229899

Cc1cc2c(=O)[nH]cc(C)c2cc1O[C@H]1CCNC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.59
MAP2K1 Q02750 1/20 0.48
HTR2C P28335 7/20 0.40
HTR2B P41595 7/20 0.40
ROCK2 O75116 2/20 0.39
PRKCD Q05655 2/20 0.39
PRKX P51817 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKD1 Q15139 1/20 0.39
HTR1A P08908 2/20 0.37
SLC6A2 P23975 2/20 0.37
PRKACA P17612 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

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
SCHEMBL3231638 1.00 ROCK1 (0.59) ROCK1MAP2K1HTR2CHTR2BROCK2
SCHEMBL3229908 1.00 ROCK1 (0.59) ROCK1MAP2K1HTR2CHTR2BROCK2
SCHEMBL8934662 0.93 ROCK1 (0.69) ROCK1MAP2K1ROCK2PRKCDPRKX
SCHEMBL14240612 0.93 ROCK1 (0.69) ROCK1MAP2K1ROCK2PRKCDPRKX
SCHEMBL8934405 0.92 ROCK1 (0.49) ROCK1MAP2K1ROCK2PRKCDHTR1A
SCHEMBL3222599 0.88 ROCK1 (0.57) ROCK1MAP2K1ROCK2PRKCDPRKX
SCHEMBL8938601 0.83 ROCK1 (0.50) ROCK1
SCHEMBL2571400 0.81 ROCK1 (0.46) ROCK1MAP2K1HTR2CHTR2BROCK2
SCHEMBL3231265 0.80 ROCK1 (0.87) ROCK1MAP2K1HTR2CHTR2BROCK2
SCHEMBL3229011 0.80 ROCK1 (0.87) ROCK1MAP2K1HTR2CHTR2BROCK2

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
WO-2010012397-A1 N-(INDOL-3-YLALKYL)(HETERO)ARYLAMIDE DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO claimed
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
WO-2010012397-A1 N-(INDOL-3-YLALKYL)(HETERO)ARYLAMIDE DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO 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

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 909/4885HTR2C 3026/4885
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES MYLK2, RHOT2, MYLK ROCK1 11/4885MAP2K1 1731/4885HTR2C 3458/4885

“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.