SCHEMBL12914905

SCHEMBL12914905

Cc1ccc(C(N)C(=O)Nc2ccc(-c3cn[nH]c3)c(Cl)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.62
ROCK1 Q13464 8/20 0.59
AAK1 Q2M2I8 1/20 0.51
EIF2AK3 Q9NZJ5 1/20 0.44

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
SCHEMBL1254733 0.92 ROCK2 (0.74) ROCK2ROCK1AAK1
SCHEMBL3809895 0.85 ROCK2 (0.59) ROCK2ROCK1AAK1
SCHEMBL16712958 0.77 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL4662575 0.75 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL12914907 0.74 ROCK2 (0.61) ROCK2ROCK1AAK1
SCHEMBL17394743 0.74 ROCK2 (1.00) ROCK2ROCK1AAK1
SCHEMBL12915605 0.74 ROCK2 (0.51) ROCK2ROCK1AAK1
SCHEMBL17394742 0.74 ROCK2 (1.00) ROCK2ROCK1AAK1
SCHEMBL23430169 0.73 ROCK2 (0.59) ROCK2ROCK1
SCHEMBL12892373 0.73 ROCK2 (0.59) ROCK2ROCK1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-17 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-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, ROCK2 ROCK2 3/4885ROCK1 1/4885AAK1 1977/4885

“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.