SCHEMBL8934262

SCHEMBL8934262

Clc1nccc2cc(OC3CCNCC3)ccc12

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.72
IKBKB O14920 2/20 0.58
ROCK2 O75116 2/20 0.55
PRKACA P17612 1/20 0.55
PRKCD Q05655 1/20 0.55
PRKG1 Q13976 1/20 0.55
PKN1 Q16512 1/20 0.55
PKN2 Q16513 1/20 0.55
AAK1 Q2M2I8 1/20 0.55
CDC42BPA Q5VT25 1/20 0.55
Q6ZSR9 Q6ZSR9 1/20 0.55
BMP2K Q9NSY1 1/20 0.55
CDC42BPB Q9Y5S2 1/20 0.55
KCNH2 Q12809 1/20 0.53
PRKCZ Q05513 2/20 0.50
HRH1 P35367 2/20 0.43
CHUK O15111 1/20 0.42
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL2500597 0.99 ROCK1 (0.70) ROCK1IKBKBROCK2PRKACAPRKCD
SCHEMBL3372945 0.90 ROCK1 (0.57) ROCK1IKBKBROCK2PRKACAPRKCD
SCHEMBL18318650 0.90 ROCK1 (0.59) ROCK1IKBKBROCK2PRKACAPRKCD
SCHEMBL26958653 0.86 ROCK1 (0.55) ROCK1IKBKBROCK2PRKCDKCNH2
Hydrochloric Acid SCHEMBL26928467 0.85 ROCK1 (0.54) ROCK1IKBKBROCK2PRKCDKCNH2
SCHEMBL4003522 0.85 ROCK1 (0.74) ROCK1IKBKBROCK2PRKCDKCNH2
SCHEMBL4007564 0.84 ROCK1 (1.00) ROCK1IKBKBROCK2PRKACAPRKCD
Sar-407899 Free Base SCHEMBL8934240 0.84 ROCK1 (0.72) ROCK1IKBKBROCK2PRKACAPRKCD
SCHEMBL2337345 0.84 ROCK1 (0.54) ROCK1IKBKBROCK2PRKACAPRKCD
SCHEMBL2337348 0.84 ROCK1 (0.54) ROCK1IKBKBROCK2PRKACAPRKCD

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
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 US disclosed
EP-2385047-B1 Piperidinyl-substituted isoquinolone derivatives SANOFI SA (FR) 2013-05-29 EP disclosed
EP-1910333-B1 PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI SA (FR) 2013-05-22 EP disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2385047-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI (FR) 2011-11-09 EP disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
WO-2007012421-A1 PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 WO disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 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 (3 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 8/4885IKBKB 606/4885ROCK2 10/4885
US-20110245248-A1 ISOQUINOLINE DERIVATIVES MYLK2, MYLK, RHOT2 ROCK1 7/4885IKBKB 866/4885ROCK2 5/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 ROCK1 7/4885IKBKB 866/4885ROCK2 5/4885

“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.