SCHEMBL4007785

SCHEMBL4007785

Nc1nccc2cc(OC3CCCN(Cc4ccoc4)C3)ccc12

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 11/20 0.78
ROCK2 O75116 5/20 0.78
KCNH2 Q12809 2/20 0.78
CCR2 P41597 1/20 0.47
NOS2 P35228 3/20 0.42
CHEK2 O96017 2/20 0.38
KLKB1 P03952 2/20 0.36
KLK1 P06870 2/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL4007781 1.00 ROCK1 (0.78) ROCK1ROCK2KCNH2CCR2NOS2
SCHEMBL4006258 0.87 ROCK1 (1.00) ROCK1ROCK2KCNH2CCR2CHEK2
SCHEMBL4005591 0.87 ROCK1 (1.00) ROCK1ROCK2KCNH2CCR2CHEK2
SCHEMBL4005586 0.87 ROCK1 (1.00) ROCK1ROCK2KCNH2CCR2CHEK2
SCHEMBL4002406 0.86 ROCK1 (0.82) ROCK1ROCK2KCNH2CCR2NOS2
SCHEMBL4010730 0.86 ROCK1 (0.82) ROCK1ROCK2KCNH2CCR2CHEK2
SCHEMBL4002400 0.86 ROCK1 (0.82) ROCK1ROCK2KCNH2CCR2NOS2
SCHEMBL4006091 0.86 ROCK1 (0.82) ROCK1ROCK2KCNH2CCR2CHEK2
SCHEMBL4008812 0.84 ROCK1 (0.76) ROCK1ROCK2KCNH2CCR2NOS2
SCHEMBL4009969 0.84 ROCK1 (0.76) ROCK1ROCK2KCNH2CCR2NOS2

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 5 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-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.