SCHEMBL1987658

SCHEMBL1987658

CN(C)C(=O)COc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2C1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.80
CDC42BPA Q5VT25 6/20 0.80
ROCK1 Q13464 3/20 0.64
AKT1 P31749 1/20 0.60

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
SCHEMBL1984611 0.91 ROCK2 (0.80) ROCK2CDC42BPAROCK1
SCHEMBL1987419 0.90 CDC42BPA (0.81) ROCK2CDC42BPAROCK1
SCHEMBL1990038 0.90 ROCK2 (0.81) ROCK2CDC42BPAROCK1
SCHEMBL1986506 0.89 ROCK2 (0.81) ROCK2CDC42BPAROCK1
SCHEMBL12561955 0.89 ROCK2 (1.00) ROCK2CDC42BPAROCK1AKT1
SCHEMBL1988546 0.87 ROCK2 (1.00) ROCK2CDC42BPAROCK1AKT1
SCHEMBL12562958 0.86 ROCK2 (0.84) ROCK2CDC42BPAROCK1AKT1
SCHEMBL1987930 0.86 ROCK2 (0.81) ROCK2CDC42BPAROCK1
SCHEMBL1987415 0.86 ROCK2 (0.81) ROCK2CDC42BPAROCK1
SCHEMBL1986887 0.85 ROCK2 (0.80) ROCK2CDC42BPAROCK1

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 3 patents. 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
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
WO-2009079008-A1 BENZOPYRANS 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 ROCK2 4/4885CDC42BPA 27/4885ROCK1 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.