SCHEMBL3229290

SCHEMBL3229290

O=C(O)CN1CCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.59
ROCK2 O75116 17/20 0.45
ROCK1 Q13464 4/20 0.42
PKN2 Q16513 3/20 0.41
CDC42 P60953 1/20 0.41
PRKACA P17612 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN1 Q16512 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40

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
SCHEMBL3230627 0.91 MAP2K1 (0.58) MAP2K1ROCK2ROCK1
SCHEMBL3231140 0.88 MAP2K1 (0.55) MAP2K1ROCK2ROCK1
SCHEMBL3221826 0.88 MAP2K1 (0.55) MAP2K1ROCK2ROCK1
SCHEMBL3228506 0.87 MAP2K1 (0.54) MAP2K1ROCK2ROCK1
SCHEMBL3212990 0.86 MAP2K1 (0.53) MAP2K1ROCK2ROCK1PKN2CDC42
SCHEMBL8935056 0.86 MAP2K1 (0.62) MAP2K1ROCK2ROCK1PKN2PRKACA
SCHEMBL8934981 0.85 MAP2K1 (0.59) MAP2K1ROCK2ROCK1PKN2CDC42
SCHEMBL8934942 0.85 MAP2K1 (0.61) MAP2K1ROCK2ROCK1PKN2PRKACA
SCHEMBL3233337 0.85 MAP2K1 (0.52) MAP2K1ROCK2ROCK1
SCHEMBL8934906 0.84 MAP2K1 (0.60) MAP2K1ROCK2ROCK1PKN2PRKACA

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 16 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 claimed
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
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 MAP2K1 909/4885ROCK2 3/4885ROCK1 1/4885
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES MYLK2, RHOT2, MYLK MAP2K1 1731/4885ROCK2 9/4885ROCK1 11/4885

“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.