SCHEMBL1985492

SCHEMBL1985492

O=C(Nc1ccc(-c2cn[nH]c2)cc1F)C1COc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 1.00
RPS6KB1 P23443 2/20 0.75
CDC42BPA Q5VT25 2/20 0.68
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57

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
SCHEMBL1988546 0.88 ROCK2 (1.00) ROCK2RPS6KB1CDC42BPA
SCHEMBL12561892 0.86 ROCK2 (0.81) ROCK2RPS6KB1CDC42BPA
SCHEMBL1985728 0.85 ROCK2 (1.00) ROCK2RPS6KB1CDC42BPA
SCHEMBL1990908 0.85 ROCK2 (1.00) ROCK2RPS6KB1CDC42BPA
SCHEMBL1252326 0.85 ROCK2 (1.00) ROCK2RPS6KB1CDC42BPA
SCHEMBL1987415 0.85 ROCK2 (0.81) ROCK2RPS6KB1CDC42BPA
SCHEMBL1985706 0.84 ROCK2 (0.75) ROCK2RPS6KB1CDC42BPA
SCHEMBL1989925 0.84 ROCK2 (1.00) ROCK2RPS6KB1CDC42BPA
SCHEMBL1985789 0.83 RPS6KB1 (1.00) ROCK2RPS6KB1CDC42BPA
SCHEMBL1985785 0.83 RPS6KB1 (1.00) ROCK2RPS6KB1CDC42BPA

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 4/4885RPS6KB1 42/4885CDC42BPA 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.