SCHEMBL3225555

SCHEMBL3225555

NC1CCCC(Oc2cc3cc[nH]c(=O)c3cc2Cl)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.64
ROCK1 Q13464 10/20 0.55
ROCK2 O75116 10/20 0.52
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

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
SCHEMBL3225572 1.00 MAP2K1 (0.64) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL8202070 1.00 MAP2K1 (0.64) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL3225564 1.00 MAP2K1 (0.64) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL3202820 0.98 MAP2K1 (0.66) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL2338581 0.95 MAP2K1 (0.69) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL2338588 0.95 MAP2K1 (0.69) MAP2K1ROCK1ROCK2PRKCDPRKACA
SCHEMBL12211331 0.95 MAP2K1 (0.69) MAP2K1ROCK1ROCK2PRKCDPRKACA
Hydrochloric Acid SCHEMBL2336772 0.94 MAP2K1 (0.67) MAP2K1ROCK1ROCK2PRKCDPRKACA
Hydrochloric Acid SCHEMBL2336776 0.94 MAP2K1 (0.67) MAP2K1ROCK1ROCK2PRKCDPRKACA
Hydrochloric Acid SCHEMBL2337226 0.94 MAP2K1 (0.67) 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 11 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 claimed
US-8742116-B2 Cycloalkylamine substituted isoquinolone derivatives SANOFI (FR) 2014-06-03 US claimed
US-20100056518-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-03-04 US claimed
EP-2125745-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 EP claimed
WO-2008077551-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO claimed
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
EP-2125745-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 EP disclosed
WO-2008077551-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO 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 MAP2K1 1721/4885ROCK1 6/4885ROCK2 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.