SCHEMBL4012601

SCHEMBL4012601

Nc1nccc2cc(O[C@H]3CCN(Cc4cccc(F)c4)C3)ccc12

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.72
ROCK2 O75116 5/20 0.72
KCNH2 Q12809 2/20 0.72
KLKB1 P03952 1/20 0.48
KLK1 P06870 1/20 0.48
CCR2 P41597 2/20 0.43
MCHR1 Q99705 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAOA P21397 2/20 0.41
ACHE P22303 2/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL4012608 1.00 ROCK1 (0.72) ROCK1ROCK2KCNH2KLKB1KLK1
SCHEMBL4009245 0.90 ROCK1 (0.73) ROCK1ROCK2KCNH2KLKB1KLK1
SCHEMBL4009246 0.90 ROCK1 (0.73) ROCK1ROCK2KCNH2KLKB1KLK1
SCHEMBL4006165 0.89 ROCK1 (0.89) ROCK1ROCK2KCNH2KLKB1KLK1
SCHEMBL4007373 0.89 ROCK1 (0.89) ROCK1ROCK2KCNH2KLKB1KLK1
SCHEMBL4006160 0.89 ROCK1 (0.89) ROCK1ROCK2KCNH2KLKB1KLK1
SCHEMBL4007291 0.88 ROCK1 (0.70) ROCK1ROCK2KCNH2KLKB1KLK1
SCHEMBL4007297 0.88 ROCK1 (0.70) ROCK1ROCK2KCNH2KLKB1KLK1
SCHEMBL4002400 0.84 ROCK1 (0.82) ROCK1ROCK2KCNH2KLKB1KLK1
SCHEMBL4002406 0.84 ROCK1 (0.82) ROCK1ROCK2KCNH2KLKB1KLK1

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.