SCHEMBL8935015

SCHEMBL8935015

CS(=O)(=O)c1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3Cl)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.53
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
SCN8A Q9UQD0 10/20 0.43
SCN1A P35498 9/20 0.43
HRH1 P35367 2/20 0.42
CCR3 P51677 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
ROCK1 Q13464 1/20 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
SCHEMBL8937809 0.91 ROCK1 (0.52) MAP2K1JAK2JAK1TYK2JAK3
SCHEMBL8938731 0.89 MAP2K1 (0.49) MAP2K1SCN8ASCN1AROCK1
SCHEMBL8938150 0.89 MAP2K1 (0.57) MAP2K1ROCK1
SCHEMBL8935003 0.89 MAP2K1 (0.57) MAP2K1SCN8ASCN1AROCK1
SCHEMBL8938278 0.88 MAP2K1 (0.59) MAP2K1SCN8ASCN1AROCK1
SCHEMBL8935032 0.88 MAP2K1 (0.51) MAP2K1SCN8ASCN1A
SCHEMBL8938170 0.87 MAP2K1 (0.55) MAP2K1ROCK1
SCHEMBL8938176 0.87 MAP2K1 (0.55) MAP2K1SCN8ASCN1AROCK1
SCHEMBL8934981 0.86 MAP2K1 (0.59) MAP2K1JAK1SCN8ASCN1AROCK1
SCHEMBL8938220 0.86 MAP2K1 (0.54) MAP2K1ROCK1

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 MAP2K1 1916/4885JAK2 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.