SCHEMBL14245232

SCHEMBL14245232

COC(=O)c1cccc(-c2cc(C(=O)Nc3ccnc4[nH]ccc34)ccc2C(C)N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.58
CIT O14578 2/20 0.58
ROCK1 Q13464 2/20 0.58
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
PRKCB P05771 1/20 0.58
PRKCA P17252 1/20 0.58
PRKACA P17612 1/20 0.58
CSNK2A2 P19784 1/20 0.58
MARK3 P27448 1/20 0.58
BMPR1A P36894 1/20 0.58
CSNK1A1 P48729 1/20 0.58
CLK1 P49759 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CDK9 P50750 1/20 0.58
PRKCQ Q04759 1/20 0.58
PRKCD Q05655 1/20 0.58
PKN1 Q16512 1/20 0.58
PKN2 Q16513 1/20 0.58

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
SCHEMBL4520037 0.90 ROCK2 (0.57) ROCK2CITROCK1PRKD3MAP4K4
SCHEMBL4507737 0.89 CIT (0.64) ROCK2CITROCK1PRKD3MAP4K4
SCHEMBL4516263 0.89 ROCK2 (0.59) ROCK2CITROCK1PRKD3MAP4K4
SCHEMBL4525275 0.87 ROCK2 (0.62) ROCK2CITROCK1PRKD3MAP4K4
SCHEMBL4529539 0.86 ROCK2 (0.56) ROCK2CITROCK1PRKD3MAP4K4
SCHEMBL4522762 0.86 ROCK2 (0.60) ROCK2CITROCK1PRKD3MAP4K4
SCHEMBL4518199 0.85 CIT (0.64) ROCK2CITROCK1PRKD3MAP4K4
SCHEMBL4521876 0.85 ROCK2 (0.59) ROCK2CITROCK1PRKD3MAP4K4
SCHEMBL4512821 0.84 CIT (0.63) ROCK2CITROCK1PRKD3MAP4K4
SCHEMBL4518022 0.84 CIT (0.63) ROCK2CITROCK1PRKD3MAP4K4

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
US-8912209-B2 Rock inhibitors AMAKEM NV (BE) 2014-12-16 US disclosed
US-8815873-B2 Heterocyclic amides as rock inhibitors AMAKEM NV (BE) 2014-08-26 US disclosed
US-20130252975-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2013-09-26 US disclosed
EP-2626348-A1 Heterocyclic amides as rock inhibitors Amakem NV (BE) 2013-08-14 EP disclosed
EP-2542528-B1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2013-06-19 EP disclosed
US-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS AMAKEM NV (BE) 2012-12-20 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 (2 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-20120322801-A1 HETEROCYCLIC AMIDES AS ROCK INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885CIT 3/4885ROCK1 1/4885
US-20130252975-A1 NOVEL ROCK INHIBITORS ROCK1, ROCK2, CIT ROCK2 2/4885CIT 3/4885ROCK1 1/4885

“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.