SCHEMBL8934976

SCHEMBL8934976

O=c1[nH]ccc2cc(OC3CCN(Cc4ccc(Cl)cc4Cl)CC3)c(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.56
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2A13 Q16696 1/20 0.40
ROCK1 Q13464 1/20 0.40
CXCR3 P49682 1/20 0.40
EPHX2 P34913 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
MCHR1 Q99705 1/20 0.39
OPRM1 P35372 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2J2 P51589 1/20 0.39
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
SCHEMBL8937948 0.92 ROCK1 (0.52) MAP2K1MEN1KMT2ACYP2A13ROCK1
SCHEMBL8938694 0.90 MAP2K1 (0.54) MAP2K1MEN1KMT2AROCK1OPRM1
SCHEMBL8938278 0.89 MAP2K1 (0.59) MAP2K1ROCK1MCHR1OPRM1ROCK2
SCHEMBL8934795 0.86 ROCK1 (0.55) ROCK1EPHX2CYP2C9CYP2J2ROCK2
SCHEMBL8934996 0.86 MAP2K1 (0.58) MAP2K1ROCK1MCHR1ROCK2
SCHEMBL8938119 0.85 MAP2K1 (0.55) MAP2K1SIGMAR1MCHR1OPRM1
SCHEMBL8934981 0.85 MAP2K1 (0.59) MAP2K1ROCK1ROCK2
SCHEMBL8935044 0.85 MAP2K1 (0.57) MAP2K1MEN1KMT2AROCK1SIGMAR1
SCHEMBL8939156 0.84 ROCK1 (0.52) MAP2K1MEN1KMT2AROCK1OPRM1
SCHEMBL12211847 0.83 MAP2K1 (0.55) MAP2K1ROCK1EPHX2ROCK2

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 1916/4885MEN1 4354/4885KMT2A 3339/4885

“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.