SCHEMBL4516882

SCHEMBL4516882

CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1-c1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.41
PRKCQ Q04759 3/20 0.40
PRKCD Q05655 2/20 0.40
ROCK1 Q13464 2/20 0.40
CIT O14578 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKACA P17612 1/20 0.40
CSNK2A2 P19784 1/20 0.40
MARK3 P27448 1/20 0.40
BMPR1A P36894 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CLK1 P49759 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK9 P50750 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40

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
SCHEMBL4503445 0.91 ROCK2 (0.46) ROCK2PRKCQPRKCDROCK1CIT
SCHEMBL4518685 0.88 ROCK2 (0.48) ROCK2PRKCQPRKCDROCK1CIT
SCHEMBL4529539 0.87 ROCK2 (0.56) ROCK2PRKCQPRKCDROCK1CIT
SCHEMBL4525443 0.87 NUDT1 (0.52) ROCK2PRKCQPRKCDROCK1CIT
SCHEMBL4509434 0.87 ROCK2 (0.47) ROCK2PRKCQPRKCDROCK1CIT
SCHEMBL4512189 0.86 ROCK2 (0.42) ROCK2PRKCQPRKCDROCK1CIT
SCHEMBL4527560 0.84 ROCK2 (0.55) ROCK2PRKCQPRKCDROCK1CIT
SCHEMBL4519995 0.84 ROCK2 (0.44) ROCK2PRKCQPRKCDROCK1CIT
SCHEMBL4515848 0.83 ROCK2 (0.49) ROCK2PRKCQPRKCDROCK1CIT
SCHEMBL6557697 0.83 ROCK2 (0.46) ROCK2PRKCQPRKCDROCK1CIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US claimed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 ROCK2 32/4885PRKCQ 256/4885PRKCD 135/4885

“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.