SCHEMBL12836747

SCHEMBL12836747

NC(Cc1cc(F)cc(F)c1)c1nc2cc(-c3ccncc3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.53
AAK1 Q2M2I8 12/20 0.52
ROCK1 Q13464 2/20 0.43
CYP17A1 P05093 1/20 0.42
CYP21A2 P08686 1/20 0.42
CYP11B1 P15538 1/20 0.42
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL12763018 1.00 ROCK2 (0.53) ROCK2AAK1ROCK1CYP17A1CYP21A2
SCHEMBL12763518 0.86 ROCK2 (0.54) ROCK2AAK1ROCK1CYP17A1CYP11B1
SCHEMBL1519155 0.86 ROCK2 (0.54) ROCK2AAK1ROCK1CYP17A1CYP11B1
SCHEMBL1519150 0.86 ROCK2 (0.54) ROCK2AAK1ROCK1CYP17A1CYP11B1
SCHEMBL12836762 0.86 ROCK2 (0.70) ROCK2AAK1ROCK1
SCHEMBL1519250 0.86 ROCK2 (0.70) ROCK2AAK1ROCK1
SCHEMBL1519324 0.84 AAK1 (0.55) ROCK2AAK1ROCK1
SCHEMBL12836750 0.84 AAK1 (0.55) ROCK2AAK1ROCK1
SCHEMBL12763520 0.84 ROCK2 (0.55) ROCK2AAK1ROCK1
SCHEMBL1519244 0.84 ROCK2 (0.55) ROCK2AAK1ROCK1

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-20110052562-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-03-03 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-20110052562-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, ROCK2, ARHGDIB ROCK2 2/4885AAK1 532/4885ROCK1 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.