SCHEMBL4007481

SCHEMBL4007481

O=c1[nH]ccc2cc(O[C@@H]3CCNC3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 1.00
ROCK2 O75116 3/20 0.86
PRKCD Q05655 2/20 0.86
PRKX P51817 1/20 0.86
PRKCE Q02156 1/20 0.86
PRKD1 Q15139 1/20 0.86
PRKACA P17612 1/20 0.85
PRKG1 Q13976 1/20 0.85
PKN1 Q16512 1/20 0.85
PKN2 Q16513 1/20 0.85
AAK1 Q2M2I8 1/20 0.85
CDC42BPA Q5VT25 1/20 0.85
Q6ZSR9 Q6ZSR9 1/20 0.85
BMP2K Q9NSY1 1/20 0.85
CDC42BPB Q9Y5S2 1/20 0.85
MAP2K1 Q02750 2/20 0.65
PRKCZ Q05513 1/20 0.52
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3223785 1.00 ROCK1 (1.00) ROCK1ROCK2PRKCDPRKXPRKCE
SCHEMBL953733 1.00 ROCK1 (1.00) ROCK1ROCK2PRKCDPRKXPRKCE
SCHEMBL4005826 0.92 ROCK1 (1.00) ROCK1ROCK2PRKCDPRKXPRKCE
SCHEMBL4009239 0.92 ROCK1 (1.00) ROCK1ROCK2PRKCDPRKXPRKCE
SCHEMBL951238 0.92 ROCK1 (1.00) ROCK1ROCK2PRKCDPRKXPRKCE
Sar-407899 Free Base SCHEMBL952213 0.92 ROCK1 (1.00) ROCK1ROCK2PRKCDPRKXPRKCE
Sar-407899 Free Base SCHEMBL29375847 0.92 ROCK1 (1.00) ROCK1ROCK2PRKCDPRKXPRKCE
Hydrochloric Acid SCHEMBL952513 0.91 ROCK1 (0.98) ROCK1ROCK2PRKCDPRKXPRKCE
Sar-407899 Free Base SCHEMBL952603 0.91 ROCK1 (0.97) ROCK1ROCK2PRKCDPRKXPRKCE
Sar-407899 Free Base SCHEMBL14480269 0.90 ROCK1 (0.95) ROCK1ROCK2PRKCDPRKXPRKCE

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-1963304-B2 ISOQUINOLINE DERIVATIVES MSD OSS BV (NL) 2015-05-13 EP claimed
US-7618985-B2 Isoquinoline derivatives N.V. ORGANON (NL) 2009-11-17 US claimed
EP-1963304-B1 ISOQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-06-24 EP claimed
EP-1963304-B2 ISOQUINOLINE DERIVATIVES MSD OSS BV (NL) 2015-05-13 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-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-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-7618985-B2 Isoquinoline derivatives N.V. ORGANON (NL) 2009-11-17 US disclosed
EP-1963304-B1 ISOQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-06-24 EP disclosed
US-20070135479-A1 Isoquinoline derivatives N.V. ORGANON (NL) 2007-06-14 US 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-20070135479-A1 Isoquinoline derivatives ROCK1, ROCK2, RHOA ROCK1 1/4885ROCK2 2/4885PRKCD 384/4885
US-20100063025-A1 Substituted isoquinoline and isoquinolinone derivatives as inhibitors of RHO-Kinase ROCK1, MYLK, ROCK2 ROCK1 1/4885ROCK2 3/4885PRKCD 406/4885
US-20120316152-A1 SUBSTITUTED ISOQUINOLINEAND ISOQUINOLINONE DERIVATIVES MYLK2, RHOT2, MYLK ROCK1 11/4885ROCK2 9/4885PRKCD 512/4885

“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.