SCHEMBL8937809

SCHEMBL8937809

Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.52
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
HRH1 P35367 4/20 0.44
CCR3 P51677 4/20 0.44
KCNH2 Q12809 1/20 0.44
MAP2K1 Q02750 1/20 0.42
BRD4 O60885 3/20 0.41
SCN1A P35498 3/20 0.40
SCN8A Q9UQD0 3/20 0.40
GPR119 Q8TDV5 1/20 0.40
ROCK2 O75116 1/20 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
SCHEMBL8935015 0.91 MAP2K1 (0.53) ROCK1JAK2JAK1TYK2JAK3
SCHEMBL8937943 0.89 ROCK1 (0.56) ROCK1MAP2K1SCN1ASCN8AROCK2
SCHEMBL8937905 0.89 ROCK1 (0.48) ROCK1HRH1CCR3KCNH2MAP2K1
SCHEMBL8937897 0.89 ROCK1 (0.48) ROCK1HRH1CCR3KCNH2MAP2K1
SCHEMBL8939121 0.89 ROCK1 (0.48) ROCK1HRH1CCR3KCNH2MAP2K1
SCHEMBL8937994 0.89 ROCK1 (0.55) ROCK1HRH1CCR3KCNH2MAP2K1
SCHEMBL8937945 0.88 ROCK1 (0.56) ROCK1JAK1MAP2K1SCN1ASCN8A
SCHEMBL13890346 0.87 ROCK1 (0.53) ROCK1JAK2JAK1JAK3MAP2K1
SCHEMBL8937933 0.86 ROCK1 (0.54) ROCK1JAK2JAK1TYK2JAK3
SCHEMBL8937925 0.86 ROCK1 (0.54) ROCK1HRH1CCR3KCNH2MAP2K1

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 8/4885JAK2 1116/4885JAK1 1878/4885

“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.