SCHEMBL1254733

SCHEMBL1254733

NC(C(=O)Nc1ccc(-c2cn[nH]c2)c(Cl)c1)c1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.74
ROCK1 Q13464 10/20 0.58
AAK1 Q2M2I8 1/20 0.50
MYLK4 Q86YV6 2/20 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
SCHEMBL12914905 0.92 ROCK2 (0.62) ROCK2ROCK1AAK1
SCHEMBL3809895 0.89 ROCK2 (0.59) ROCK2ROCK1AAK1MYLK4
SCHEMBL16712958 0.85 ROCK2 (1.00) ROCK2ROCK1MYLK4
SCHEMBL4662575 0.83 ROCK2 (0.76) ROCK2ROCK1MYLK4
SCHEMBL12892373 0.76 ROCK2 (0.59) ROCK2ROCK1AAK1MYLK4
SCHEMBL20672744 0.75 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL1254532 0.75 ROCK2 (0.60) ROCK2ROCK1AAK1
SCHEMBL1253344 0.75 ROCK2 (0.57) ROCK2ROCK1AAK1
SCHEMBL17394742 0.74 ROCK2 (1.00) ROCK2ROCK1AAK1
SCHEMBL17394743 0.74 ROCK2 (1.00) 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 4 patents. 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
US-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-17 US disclosed
US-20110038835-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-17 US disclosed
WO-2009079009-A1 ANILIDES AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 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-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.