SCHEMBL1991091

SCHEMBL1991091

COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC)CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 1.00
CDC42BPA Q5VT25 7/20 0.83
ROCK1 Q13464 1/20 0.81
RPS6KB1 P23443 1/20 0.71

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
SCHEMBL1986785 0.93 ROCK2 (0.86) ROCK2CDC42BPAROCK1RPS6KB1
SCHEMBL1986544 0.93 ROCK2 (0.94) ROCK2CDC42BPAROCK1
SCHEMBL1987592 0.93 ROCK2 (0.86) ROCK2CDC42BPAROCK1RPS6KB1
SCHEMBL1987984 0.92 ROCK2 (0.84) ROCK2CDC42BPAROCK1RPS6KB1
SCHEMBL1989480 0.92 ROCK2 (0.87) ROCK2CDC42BPAROCK1
SCHEMBL1990002 0.91 ROCK2 (0.85) ROCK2CDC42BPAROCK1
SCHEMBL1989295 0.91 ROCK2 (1.00) ROCK2CDC42BPAROCK1
SCHEMBL1995745 0.90 ROCK2 (0.82) ROCK2CDC42BPAROCK1RPS6KB1
SCHEMBL1989884 0.90 ROCK2 (0.84) ROCK2CDC42BPAROCK1
SCHEMBL1989394 0.90 ROCK2 (0.82) ROCK2CDC42BPAROCK1RPS6KB1

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-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
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.