SCHEMBL4007568

SCHEMBL4007568

Cc1ccc(CN2CCC(Oc3cc4ccnc(N)c4cc3C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.58
ROCK2 O75116 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN1A P35498 6/20 0.44
SCN8A Q9UQD0 6/20 0.44
MCHR1 Q99705 3/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SSTR5 P35346 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
SCHEMBL4008300 0.93 ROCK1 (0.57) ROCK1ROCK2KCNH2SCN1ASCN8A
SCHEMBL4009037 0.92 ROCK1 (0.70) ROCK1ROCK2KCNH2SCN1ASCN8A
SCHEMBL4010766 0.88 ROCK1 (0.61) ROCK1ROCK2KCNH2MCHR1
SCHEMBL4008352 0.86 ROCK1 (0.63) ROCK1ROCK2KCNH2SCN1ASCN8A
SCHEMBL4008587 0.86 ROCK1 (0.63) ROCK1ROCK2KCNH2SCN1ASCN8A
SCHEMBL4008346 0.86 ROCK1 (0.63) ROCK1ROCK2KCNH2SCN1ASCN8A
SCHEMBL4010045 0.82 ROCK1 (0.45) ROCK1ROCK2KCNH2
SCHEMBL4006367 0.81 ROCK1 (0.72) ROCK1ROCK2KCNH2SCN1ASCN8A
SCHEMBL12193422 0.80 IKBKB (0.49) ROCK1ROCK2SCN1ASCN8A
SCHEMBL4966723 0.78 ROCK1 (0.44) ROCK1ROCK2KCNH2

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 2/4885KCNH2 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.