SCHEMBL4007501

SCHEMBL4007501

COc1ccc(CN2CCC(Oc3ccc4c(=O)[nH]ccc4c3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 14/20 0.58
ROCK2 O75116 3/20 0.58
PRKCD Q05655 2/20 0.58
PRKACA P17612 2/20 0.58
PRKG1 Q13976 1/20 0.58
PKN1 Q16512 1/20 0.58
PKN2 Q16513 1/20 0.58
AAK1 Q2M2I8 1/20 0.58
CDC42BPA Q5VT25 1/20 0.58
Q6ZSR9 Q6ZSR9 1/20 0.58
BMP2K Q9NSY1 1/20 0.58
CDC42BPB Q9Y5S2 1/20 0.58
PRKX P51817 1/20 0.52
PRKCE Q02156 1/20 0.52
PRKD1 Q15139 1/20 0.52
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
CCR2 P41597 1/20 0.47
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46

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
SCHEMBL4013793 0.92 ROCK1 (0.58) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934763 0.91 ROCK1 (0.60) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL4009014 0.90 ROCK1 (0.54) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL4005889 0.89 ROCK1 (0.61) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL4007744 0.88 ROCK1 (0.53) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934869 0.88 ROCK1 (0.54) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934812 0.88 ROCK1 (0.58) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934871 0.88 ROCK1 (0.58) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8938736 0.87 ROCK1 (0.53) ROCK1ROCK2PRKCDPRKACAPRKG1
SCHEMBL8934866 0.87 ROCK1 (0.55) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A1 ISOQUINOLINE DERIVATIVES N.V. Organon (NL) 2008-09-03 EP claimed
WO-2007065916-A1 ISOQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2007-06-14 WO claimed
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.