SCHEMBL4009302

SCHEMBL4009302

COCCN1CCC(Oc2ccc3c(=O)[nH]ccc3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 0.61
ROCK2 O75116 2/20 0.61
PRKCD Q05655 2/20 0.61
PRKACA P17612 1/20 0.61
PRKG1 Q13976 1/20 0.61
PKN1 Q16512 1/20 0.61
PKN2 Q16513 1/20 0.61
AAK1 Q2M2I8 1/20 0.61
CDC42BPA Q5VT25 1/20 0.61
Q6ZSR9 Q6ZSR9 1/20 0.61
BMP2K Q9NSY1 1/20 0.61
CDC42BPB Q9Y5S2 1/20 0.61
PARP1 P09874 1/20 0.54
PRKX P51817 1/20 0.54
PRKCE Q02156 1/20 0.54
PRKD1 Q15139 1/20 0.54
LTA4H P09960 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL8934742 0.89 ROCK1 (0.63) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934752 0.87 ROCK1 (0.61) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL4008562 0.87 ROCK1 (0.63) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934734 0.86 ROCK1 (0.66) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL4009151 0.86 ROCK1 (0.57) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL4005932 0.85 ROCK1 (0.70) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL4002587 0.85 ROCK1 (0.61) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8938570 0.84 ROCK1 (0.60) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934761 0.84 ROCK1 (0.63) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934755 0.83 ROCK1 (0.62) ROCK1ROCK2PRKCDPRKACAPRKG1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963304-B2 ISOQUINOLINE DERIVATIVES MSD OSS BV (NL) 2015-05-13 EP 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 (1 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

“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.