SCHEMBL8935934

SCHEMBL8935934

O=c1[nH]ccc2cc(OCC3CCN(Cc4ccccn4)CC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.53
F10 P00742 2/20 0.51
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ROCK1 Q13464 3/20 0.42
DRD4 P21917 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKACA P17612 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKG1 Q13976 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
Q6ZSR9 Q6ZSR9 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
SCHEMBL8935814 0.86 MAOA (0.59) MAP2K1ACHEMAOAMAOBPRKACA
SCHEMBL8935917 0.84 MAP2K1 (0.55) MAP2K1F10ACHEMAOAMAOB
SCHEMBL8936015 0.83 MAP2K1 (0.52) MAP2K1ACHEBCHEMAOAMAOB
SCHEMBL8935778 0.83 MAP2K1 (0.53) MAP2K1ACHEMAOAMAOBROCK1
SCHEMBL8935674 0.81 MAP2K1 (0.61) MAP2K1ROCK1
SCHEMBL8935619 0.81 MAP2K1 (0.61) MAP2K1ROCK1ROCK2PRKACAPRKCD
SCHEMBL8935808 0.81 MAOB (0.59) MAP2K1ACHEMAOAMAOB
SCHEMBL8935666 0.81 MAP2K1 (0.58) MAP2K1ROCK1ROCK2PRKACAPRKCD
SCHEMBL8938922 0.80 MAP2K1 (0.55) MAP2K1ACHEMAOAMAOB
SCHEMBL8935887 0.80 MAP2K1 (0.55) MAP2K1ACHEMAOAMAOBROCK1

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 1916/4885F10 4096/4885ACHE 3559/4885

“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.