SCHEMBL4005232

SCHEMBL4005232

Nc1nccc2cc(OC3CCCNC3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 14/20 1.00
ROCK2 O75116 3/20 1.00
KCNH2 Q12809 2/20 1.00
PRKX P51817 1/20 0.59
PRKCE Q02156 1/20 0.59
PRKCD Q05655 1/20 0.59
PRKD1 Q15139 1/20 0.59
PRKCZ Q05513 2/20 0.52
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
IKBKB O14920 1/20 0.43
CHUK O15111 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
SCHEMBL4007587 1.00 ROCK1 (1.00) ROCK1ROCK2KCNH2PRKXPRKCE
SCHEMBL4007534 0.93 ROCK1 (0.86) ROCK1ROCK2KCNH2PRKXPRKCE
SCHEMBL4003721 0.93 ROCK1 (0.86) ROCK1ROCK2KCNH2PRKXPRKCE
SCHEMBL4003522 0.85 ROCK1 (0.74) ROCK1ROCK2KCNH2PRKXPRKCE
SCHEMBL4007564 0.85 ROCK1 (1.00) ROCK1ROCK2KCNH2PRKCDPRKCZ
SCHEMBL4009294 0.80 ROCK1 (0.67) ROCK1ROCK2KCNH2PRKXPRKCE
SCHEMBL21999104 0.79 ROCK1 (0.65) ROCK1ROCK2KCNH2PRKXPRKCE
SCHEMBL1204561 0.78 ROCK1 (0.74) ROCK1ROCK2KCNH2PRKCDIKBKB
SCHEMBL1204558 0.78 ROCK1 (0.74) ROCK1ROCK2KCNH2PRKCDIKBKB
SCHEMBL3113476 0.78 ROCK1 (0.74) ROCK1ROCK2KCNH2PRKCDIKBKB

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 8 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-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.