SCHEMBL8937801

SCHEMBL8937801

Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2n[nH]c3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.50
MAP2K1 Q02750 1/20 0.39
S1PR5 Q9H228 5/20 0.37
PRKACA P17612 4/20 0.35
ROCK2 O75116 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKG1 Q13976 1/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
Q6ZSR9 Q6ZSR9 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
PRKACG P22612 3/20 0.35
PRKACB P22694 3/20 0.35
SCN1A P35498 2/20 0.35
SCN8A Q9UQD0 2/20 0.35
JAK1 P23458 1/20 0.35
HTR1D P28221 1/20 0.34

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
SCHEMBL8934889 0.84 ROCK1 (0.53) ROCK1MAP2K1PRKACAROCK2PRKCD
SCHEMBL8937945 0.84 ROCK1 (0.56) ROCK1MAP2K1PRKACAROCK2PRKACG
SCHEMBL8937942 0.83 ROCK1 (0.55) ROCK1MAP2K1ACHE
SCHEMBL8937839 0.82 ROCK1 (0.52) ROCK1SCN8AACHE
SCHEMBL12165509 0.81 ROCK1 (0.48) ROCK1MAP2K1S1PR5PRKACAROCK2
SCHEMBL8937944 0.81 ROCK1 (0.52) ROCK1PRKACAPRKACGPRKACBSCN1A
SCHEMBL8937951 0.81 ROCK1 (0.52) ROCK1MAP2K1SCN1ASCN8AACHE
SCHEMBL8938080 0.81 ROCK1 (0.61) ROCK1MAP2K1PRKACAROCK2PRKCD
SCHEMBL8937933 0.81 ROCK1 (0.54) ROCK1MAP2K1PRKACAPRKACGPRKACB
SCHEMBL8937943 0.80 ROCK1 (0.56) ROCK1MAP2K1PRKACAROCK2PRKCD

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 5 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
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 ROCK1 8/4885MAP2K1 1916/4885S1PR5 2447/4885

“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.