SCHEMBL8935032

SCHEMBL8935032

O=c1[nH]ccc2cc(OC3CCN(Cc4ccc(S(=O)(=O)C(F)(F)F)cc4)CC3)c(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.51
SCN8A Q9UQD0 13/20 0.42
SCN1A P35498 12/20 0.42
TEAD1 P28347 1/20 0.42
ENPP2 Q13822 2/20 0.41

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
SCHEMBL8938731 0.93 MAP2K1 (0.49) MAP2K1SCN8ASCN1AENPP2
SCHEMBL8937905 0.90 ROCK1 (0.48) MAP2K1SCN8ASCN1ATEAD1ENPP2
SCHEMBL8935015 0.88 MAP2K1 (0.53) MAP2K1SCN8ASCN1A
SCHEMBL8935011 0.87 MAP2K1 (0.54) MAP2K1SCN8ASCN1ATEAD1ENPP2
SCHEMBL8938278 0.86 MAP2K1 (0.59) MAP2K1SCN8ASCN1A
SCHEMBL8938735 0.86 MAP2K1 (0.52) MAP2K1SCN8ASCN1AENPP2
SCHEMBL8939121 0.84 ROCK1 (0.48) MAP2K1SCN8ASCN1AENPP2
SCHEMBL8938150 0.84 MAP2K1 (0.57) MAP2K1ENPP2
SCHEMBL8935003 0.84 MAP2K1 (0.57) MAP2K1SCN8ASCN1A
SCHEMBL8934981 0.84 MAP2K1 (0.59) MAP2K1SCN8ASCN1A

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 5 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
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 MAP2K1 1916/4885SCN8A 2875/4885SCN1A 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.