SCHEMBL8935644

SCHEMBL8935644

CCCCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.57
MAOB P27338 5/20 0.49
ACHE P22303 4/20 0.49
ALB P02768 1/20 0.49
CYP3A4 P08684 1/20 0.47
HTR4 Q13639 2/20 0.46
ROCK1 Q13464 7/20 0.45
ROCK2 O75116 1/20 0.45
PRKACA P17612 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKG1 Q13976 1/20 0.45
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
CDC42BPA Q5VT25 1/20 0.45
Q6ZSR9 Q6ZSR9 1/20 0.45
BMP2K Q9NSY1 1/20 0.45
CDC42BPB Q9Y5S2 1/20 0.45
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL8935634 0.94 MAP2K1 (0.59) MAP2K1MAOBACHEALBCYP3A4
SCHEMBL8935619 0.89 MAP2K1 (0.61) MAP2K1ROCK1ROCK2PRKACAPRKCD
SCHEMBL8935692 0.87 MAP2K1 (0.56) MAP2K1MAOBACHEALBCYP3A4
SCHEMBL8934752 0.85 ROCK1 (0.61) MAP2K1MAOBACHEHTR4ROCK1
SCHEMBL8935674 0.85 MAP2K1 (0.61) MAP2K1ROCK1
SCHEMBL8935744 0.84 MAP2K1 (0.59) MAP2K1MAOBACHEALBCYP3A4
SCHEMBL8935666 0.84 MAP2K1 (0.58) MAP2K1ROCK1ROCK2PRKACAPRKCD
SCHEMBL8935750 0.82 MAP2K1 (0.64) MAP2K1ROCK1ROCK2PRKACAPRKCD
SCHEMBL8935670 0.82 MAP2K1 (0.60) MAP2K1MAOBROCK1ROCK2PRKACA
SCHEMBL8938922 0.82 MAP2K1 (0.55) MAP2K1MAOBACHEMAOA

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 1916/4885MAOB 2595/4885ACHE 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.