SCHEMBL8934670

SCHEMBL8934670

O=c1[nH]ccc2cc(OC[C@@H]3CCCNC3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 1.00
ROCK1 Q13464 12/20 0.66
ROCK2 O75116 2/20 0.66
PRKCD Q05655 2/20 0.66
PRKX P51817 1/20 0.66
PRKCE Q02156 1/20 0.66
PRKD1 Q15139 1/20 0.66
PRKACA P17612 1/20 0.55
PRKG1 Q13976 1/20 0.55
PKN1 Q16512 1/20 0.55
PKN2 Q16513 1/20 0.55
AAK1 Q2M2I8 1/20 0.55
CDC42BPA Q5VT25 1/20 0.55
Q6ZSR9 Q6ZSR9 1/20 0.55
BMP2K Q9NSY1 1/20 0.55
CDC42BPB Q9Y5S2 1/20 0.55
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
SLC6A3 Q01959 1/20 0.52
PARP15 Q460N3 3/20 0.49

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
SCHEMBL8934682 1.00 MAP2K1 (1.00) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL12851130 0.88 MAP2K1 (0.78) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL8938523 0.87 MAP2K1 (0.76) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL8934414 0.85 MAP2K1 (0.74) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL4005826 0.80 ROCK1 (1.00) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL951238 0.80 ROCK1 (1.00) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL4009239 0.80 ROCK1 (1.00) MAP2K1ROCK1ROCK2PRKCDPRKX
Hydrochloric Acid SCHEMBL952513 0.79 ROCK1 (0.98) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL13423105 0.78 MAP2K1 (0.64) MAP2K1ROCK1ROCK2PRKCDPRKX
SCHEMBL8935750 0.78 MAP2K1 (0.64) MAP2K1ROCK1ROCK2PRKCDPRKACA

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-1910333-B1 PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI SA (FR) 2013-05-22 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 1916/4885ROCK1 8/4885ROCK2 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.