SCHEMBL12562191

SCHEMBL12562191

CCCOc1cc(-c2ccnc(N)n2)c(F)cc1NC(=O)C1COc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.54
ROCK1 Q13464 4/20 0.51
CDC42BPA Q5VT25 2/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
RPS6KB1 P23443 1/20 0.43
MAOB P27338 1/20 0.41

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
SCHEMBL1990273 0.92 ROCK2 (0.63) ROCK2ROCK1CDC42BPA
SCHEMBL12562192 0.91 ROCK2 (0.54) ROCK2ROCK1CDC42BPA
SCHEMBL12562188 0.90 ROCK2 (0.54) ROCK2ROCK1CDC42BPARPS6KB1
SCHEMBL12562190 0.86 TSHR (0.51) ROCK2ROCK1RPS6KB1
SCHEMBL12562128 0.84 ROCK2 (0.66) ROCK2ROCK1CDC42BPA
SCHEMBL12603127 0.83 ROCK2 (0.64) ROCK2ROCK1CDC42BPA
SCHEMBL1987854 0.83 ROCK2 (0.65) ROCK2ROCK1CDC42BPA
SCHEMBL1989256 0.82 ROCK2 (0.65) ROCK2ROCK1CDC42BPA
SCHEMBL1985614 0.79 ROCK2 (0.76) ROCK2ROCK1CDC42BPA
SCHEMBL1986819 0.79 ROCK2 (0.58) ROCK2ROCK1CDC42BPARPS6KB1

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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 ROCK2 4/4885ROCK1 1/4885CDC42BPA 27/4885

“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.