SCHEMBL8938119

SCHEMBL8938119

O=c1[nH]ccc2cc(OC3CCN(Cc4cccc(Cl)c4)CC3)c(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.55
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
PRKACA P17612 3/20 0.47
PRKACG P22612 3/20 0.47
PRKACB P22694 3/20 0.47
SCN1A P35498 3/20 0.47
SCN8A Q9UQD0 3/20 0.47
MCHR1 Q99705 3/20 0.46
OPRM1 P35372 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL8934981 0.92 MAP2K1 (0.59) MAP2K1MAOAMAOBPRKACAPRKACG
SCHEMBL8934996 0.91 MAP2K1 (0.58) MAP2K1MAOAMAOBPRKACAPRKACG
SCHEMBL8938144 0.91 MAP2K1 (0.53) MAP2K1MAOAMAOBPRKACAPRKACG
SCHEMBL8937993 0.91 ROCK1 (0.52) MAP2K1MAOAMAOBPRKACAPRKACG
SCHEMBL8938278 0.90 MAP2K1 (0.59) MAP2K1MAOAMAOBPRKACAPRKACG
SCHEMBL8936448 0.90 ACHE (0.51) MAP2K1MAOAMAOBPRKACAPRKACG
SCHEMBL8938182 0.89 MAP2K1 (0.52) MAP2K1PRKACAPRKACGPRKACBSCN1A
SCHEMBL8935042 0.88 MAP2K1 (0.54) MAP2K1SCN1ASCN8AMCHR1OPRM1
SCHEMBL8938696 0.87 MAP2K1 (0.53) MAP2K1MAOAMAOBPRKACAPRKACG
SCHEMBL3226309 0.86 MAP2K1 (0.57) MAP2K1PRKACAPRKACGPRKACBSCN1A

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 1916/4885MAOA 2633/4885MAOB 2595/4885

“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.