SCHEMBL8937897

SCHEMBL8937897

Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cc(F)cc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.48
BRD4 O60885 5/20 0.39
SCN1A P35498 2/20 0.38
SCN8A Q9UQD0 2/20 0.38
HRH1 P35367 5/20 0.38
CCR3 P51677 5/20 0.38
KCNH2 Q12809 1/20 0.38
MAP2K1 Q02750 1/20 0.37
PRKACA P17612 3/20 0.35
PRKACG P22612 3/20 0.35
PRKACB P22694 3/20 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
SCHEMBL8937809 0.89 ROCK1 (0.52) ROCK1BRD4SCN1ASCN8AHRH1
SCHEMBL8937943 0.84 ROCK1 (0.56) ROCK1SCN1ASCN8AMAP2K1PRKACA
SCHEMBL8937905 0.82 ROCK1 (0.48) ROCK1BRD4SCN1ASCN8AHRH1
SCHEMBL8937925 0.82 ROCK1 (0.54) ROCK1HRH1CCR3KCNH2MAP2K1
SCHEMBL8937945 0.82 ROCK1 (0.56) ROCK1SCN1ASCN8AMAP2K1PRKACA
SCHEMBL8939121 0.81 ROCK1 (0.48) ROCK1SCN1ASCN8AHRH1CCR3
SCHEMBL8937994 0.81 ROCK1 (0.55) ROCK1HRH1CCR3KCNH2MAP2K1
SCHEMBL8937933 0.80 ROCK1 (0.54) ROCK1SCN1ASCN8AMAP2K1PRKACA
SCHEMBL8939144 0.80 ROCK1 (0.52) ROCK1SCN1ASCN8AHRH1CCR3
SCHEMBL8937960 0.80 ROCK1 (0.52) ROCK1MAP2K1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385047-B1 Piperidinyl-substituted isoquinolone derivatives SANOFI SA (FR) 2013-05-29 EP disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2385047-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI (FR) 2011-11-09 EP disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 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-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 ROCK1 8/4885BRD4 1640/4885SCN1A 1086/4885

“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.