SCHEMBL4013069

SCHEMBL4013069

Cc1cc2c(N)nccc2cc1O[C@@H]1CCNC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 6/20 0.57
ROCK2 O75116 1/20 0.57
KCNH2 Q12809 1/20 0.57
MAP2K1 Q02750 1/20 0.43
PRKCZ Q05513 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.42
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
PRKCI P41743 2/20 0.40
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 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
SCHEMBL4009292 1.00 ROCK1 (0.57) ROCK1ROCK2KCNH2MAP2K1PRKCZ
SCHEMBL4009293 1.00 ROCK1 (0.57) ROCK1ROCK2KCNH2MAP2K1PRKCZ
SCHEMBL4009294 0.93 ROCK1 (0.67) ROCK1ROCK2KCNH2IRAK4IKBKB
SCHEMBL4007136 0.93 ROCK1 (0.64) ROCK1ROCK2KCNH2PRKCZIKBKB
SCHEMBL1205041 0.81 ROCK1 (0.46) ROCK1ROCK2KCNH2IRAK4
SCHEMBL12879225 0.81 ROCK1 (0.46) ROCK1ROCK2KCNH2IRAK4
SCHEMBL1205040 0.81 ROCK1 (0.46) ROCK1ROCK2KCNH2IRAK4
SCHEMBL1205636 0.81 ROCK1 (0.46) ROCK1ROCK2KCNH2IRAK4
SCHEMBL4010045 0.80 ROCK1 (0.45) ROCK1ROCK2KCNH2IKBKB
SCHEMBL4007534 0.79 ROCK1 (0.86) ROCK1ROCK2KCNH2PRKCZIKBKB

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.