SCHEMBL8936393

SCHEMBL8936393

COc1cc2c(=O)[nH]ccc2cc1OC1CCN(CCC(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 8/20 0.45
MAP2K1 Q02750 2/20 0.44
ROCK2 O75116 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKACA P17612 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
EZH2 Q15910 1/20 0.37
EGFR P00533 2/20 0.37
PDE4B Q07343 1/20 0.37
DNMT1 P26358 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
ERBB2 P04626 1/20 0.36
SCD O00767 1/20 0.36

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
SCHEMBL8938950 0.93 ROCK1 (0.44) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8938025 0.89 ROCK1 (0.58) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8934947 0.87 MAP2K1 (0.60) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8936391 0.85 PARP1 (0.46) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8934478 0.84 ROCK1 (0.49) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8939164 0.82 ROCK1 (0.57) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8934761 0.82 ROCK1 (0.63) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8938693 0.82 MAP2K1 (0.58) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8936423 0.81 ACHE (0.46) ROCK1MAP2K1ROCK2BMP2KPDE4B
SCHEMBL8938949 0.80 ACHE (0.48) ROCK1MAP2K1EHMT2

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 ROCK1 8/4885MAP2K1 1916/4885ROCK2 10/4885

“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.