SCHEMBL4006367

SCHEMBL4006367

Cc1cc2c(N)nccc2cc1OC1CCCN(Cc2ccccc2)C1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.72
ROCK2 O75116 4/20 0.72
KCNH2 Q12809 1/20 0.72
MCHR1 Q99705 3/20 0.48
CCR2 P41597 1/20 0.47
SCN1A P35498 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
BCHE P06276 2/20 0.42
CHEK2 O96017 1/20 0.41
PDE2A O00408 1/20 0.41
MAOB P27338 1/20 0.40
MAPK1 P28482 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4008346 0.94 ROCK1 (0.63) ROCK1ROCK2KCNH2MCHR1SCN1A
SCHEMBL4008352 0.94 ROCK1 (0.63) ROCK1ROCK2KCNH2MCHR1SCN1A
SCHEMBL4008587 0.94 ROCK1 (0.63) ROCK1ROCK2KCNH2MCHR1SCN1A
SCHEMBL4010766 0.93 ROCK1 (0.61) ROCK1ROCK2KCNH2MCHR1CCR2
SCHEMBL4009037 0.88 ROCK1 (0.70) ROCK1ROCK2KCNH2MCHR1CCR2
SCHEMBL4006258 0.83 ROCK1 (1.00) ROCK1ROCK2KCNH2MCHR1CCR2
SCHEMBL4005591 0.83 ROCK1 (1.00) ROCK1ROCK2KCNH2MCHR1CCR2
SCHEMBL4005586 0.83 ROCK1 (1.00) ROCK1ROCK2KCNH2MCHR1CCR2
SCHEMBL4007568 0.81 ROCK1 (0.58) ROCK1ROCK2KCNH2MCHR1SCN1A
SCHEMBL4008300 0.80 ROCK1 (0.57) ROCK1ROCK2KCNH2MCHR1SCN1A

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 11 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-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
EP-1963304-A1 ISOQUINOLINE DERIVATIVES N.V. Organon (NL) 2008-09-03 EP disclosed
WO-2007065916-A1 ISOQUINOLINE DERIVATIVES N.V. ORGANON (NL) 2007-06-14 WO 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 2/4885KCNH2 343/4885

“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.