SCHEMBL12562728

SCHEMBL12562728

CN(C)CCCOc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@H]1COc2ccccc2O1

nearest known ligand 0.94

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.94
ROCK1 Q13464 4/20 0.94
AKT1 P31749 2/20 0.94
CDC42BPA Q5VT25 5/20 0.72
RPS6KB1 P23443 1/20 0.66

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
SCHEMBL12562733 1.00 ROCK2 (0.94) ROCK2ROCK1AKT1CDC42BPARPS6KB1
Sr-3677 SCHEMBL453528 0.97 ROCK2 (1.00) ROCK2ROCK1AKT1CDC42BPARPS6KB1
Sr-3677 SCHEMBL29378608 0.97 ROCK2 (1.00) ROCK2ROCK1AKT1CDC42BPARPS6KB1
Sr-3677 SCHEMBL22145950 0.97 ROCK2 (1.00) ROCK2ROCK1AKT1CDC42BPARPS6KB1
Sr-3677 SCHEMBL15842050 0.96 ROCK2 (0.98) ROCK2ROCK1AKT1CDC42BPARPS6KB1
Sr-3677 SCHEMBL29249231 0.96 ROCK2 (0.98) ROCK2ROCK1AKT1CDC42BPARPS6KB1
Sr-3677 SCHEMBL30373321 0.96 ROCK2 (0.98) ROCK2ROCK1AKT1CDC42BPARPS6KB1
SCHEMBL12562553 0.90 ROCK2 (0.88) ROCK2ROCK1AKT1CDC42BPARPS6KB1
SCHEMBL1987562 0.90 ROCK2 (0.84) ROCK2ROCK1AKT1CDC42BPARPS6KB1
SCHEMBL1990233 0.89 ROCK2 (0.83) ROCK2ROCK1AKT1CDC42BPARPS6KB1

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 4/4885ROCK1 1/4885AKT1 31/4885

“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.