SCHEMBL3220441

SCHEMBL3220441

N[C@@H](CO)CN1CCC(Oc2ccc3c(=O)[nH]ccc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.57
PRKACA P17612 4/20 0.57
ROCK2 O75116 2/20 0.57
PRKCD Q05655 2/20 0.57
PRKG1 Q13976 1/20 0.57
PKN1 Q16512 1/20 0.57
PKN2 Q16513 1/20 0.57
AAK1 Q2M2I8 1/20 0.57
CDC42BPA Q5VT25 1/20 0.57
Q6ZSR9 Q6ZSR9 1/20 0.57
BMP2K Q9NSY1 1/20 0.57
CDC42BPB Q9Y5S2 1/20 0.57
PRKX P51817 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKD1 Q15139 1/20 0.51
MAP2K1 Q02750 1/20 0.41
HRH1 P35367 3/20 0.41
CCR3 P51677 3/20 0.41
KCNH2 Q12809 2/20 0.41
CCR1 P32246 1/20 0.41

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
SCHEMBL3220457 1.00 ROCK1 (0.57) ROCK1PRKACAROCK2PRKCDPRKG1
SCHEMBL8934755 0.85 ROCK1 (0.62) ROCK1PRKACAROCK2PRKCDPRKG1
SCHEMBL4008562 0.84 ROCK1 (0.63) ROCK1PRKACAROCK2PRKCDPRKG1
SCHEMBL4002587 0.82 ROCK1 (0.61) ROCK1PRKACAROCK2PRKCDPRKG1
SCHEMBL8934734 0.82 ROCK1 (0.66) ROCK1PRKACAROCK2PRKCDPRKG1
SCHEMBL4148958 0.81 ROCK1 (0.65) ROCK1PRKACAROCK2PRKCDPRKG1
SCHEMBL8934742 0.80 ROCK1 (0.63) ROCK1PRKACAROCK2PRKCDPRKG1
SCHEMBL4008724 0.78 ROCK1 (0.56) ROCK1PRKACAROCK2PRKCDPRKG1
SCHEMBL3221324 0.78 ROCK1 (0.58) ROCK1PRKACAROCK2PRKCDPRKG1
SCHEMBL3225329 0.78 ROCK1 (0.58) ROCK1PRKACAROCK2PRKCDPRKG1

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 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

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 1/4885PRKACA 777/4885ROCK2 3/4885
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES MYLK2, RHOT2, MYLK ROCK1 11/4885PRKACA 487/4885ROCK2 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.