SCHEMBL3206216

SCHEMBL3206216

Cc1cc2c(=O)[nH]ccc2cc1OC1CCCC(N)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.67
MAP2K1 Q02750 2/20 0.47
ROCK2 O75116 5/20 0.43
PRKCD Q05655 2/20 0.43
PRKACA P17612 1/20 0.43
PRKG1 Q13976 1/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
Q6ZSR9 Q6ZSR9 1/20 0.43
BMP2K Q9NSY1 1/20 0.43
CDC42BPB Q9Y5S2 1/20 0.43
PRKX P51817 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKD1 Q15139 1/20 0.42
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL3206222 1.00 ROCK1 (0.67) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL3206238 1.00 ROCK1 (0.67) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL2338400 0.95 ROCK1 (0.66) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL2337837 0.95 ROCK1 (0.66) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL2337835 0.95 ROCK1 (0.66) ROCK1MAP2K1ROCK2PRKCDPRKACA
Hydrochloric Acid SCHEMBL2335190 0.94 ROCK1 (0.65) ROCK1MAP2K1ROCK2PRKCDPRKACA
Hydrochloric Acid SCHEMBL2340314 0.94 ROCK1 (0.65) ROCK1MAP2K1ROCK2PRKCDPRKACA
Hydrochloric Acid SCHEMBL2335187 0.94 ROCK1 (0.65) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL8938640 0.88 ROCK1 (0.76) ROCK1MAP2K1ROCK2PRKCDPRKACA
SCHEMBL3225555 0.86 MAP2K1 (0.64) ROCK1MAP2K1ROCK2PRKCDPRKACA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US disclosed
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-03-04 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-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES MYLK, MYLK2, MYLK3 ROCK1 6/4885MAP2K1 1721/4885ROCK2 8/4885

“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.