SCHEMBL4009037

SCHEMBL4009037

Cc1cc2c(N)nccc2cc1OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.70
KCNH2 Q12809 3/20 0.55
ROCK2 O75116 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.47
SCN1A P35498 4/20 0.47
SCN8A Q9UQD0 4/20 0.47
MCHR1 Q99705 2/20 0.47
SCN5A Q14524 2/20 0.44
SCN9A Q15858 2/20 0.44
CCR2 P41597 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL4008352 0.94 ROCK1 (0.63) ROCK1KCNH2ROCK2SMN1; SMN2SCN1A
SCHEMBL4008346 0.94 ROCK1 (0.63) ROCK1KCNH2ROCK2SMN1; SMN2SCN1A
SCHEMBL4008587 0.94 ROCK1 (0.63) ROCK1KCNH2ROCK2SMN1; SMN2SCN1A
SCHEMBL4007568 0.92 ROCK1 (0.58) ROCK1KCNH2ROCK2SCN1ASCN8A
SCHEMBL4008300 0.91 ROCK1 (0.57) ROCK1KCNH2ROCK2SCN1ASCN8A
SCHEMBL4006367 0.88 ROCK1 (0.72) ROCK1KCNH2ROCK2SCN1ASCN8A
SCHEMBL4010045 0.82 ROCK1 (0.45) ROCK1KCNH2ROCK2SMN1; SMN2MAOA
SCHEMBL4008293 0.82 ROCK1 (1.00) ROCK1KCNH2ROCK2SMN1; SMN2CCR2
SCHEMBL4010766 0.81 ROCK1 (0.61) ROCK1KCNH2ROCK2MCHR1CCR2
SCHEMBL12193416 0.80 ROCK1 (0.53) ROCK1ROCK2SMN1; SMN2SCN1ASCN8A

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 6 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
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 1/4885KCNH2 343/4885ROCK2 2/4885

“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.