SCHEMBL10053641

SCHEMBL10053641

CN1CCc2nc(NC(=O)c3cccc(CNC(=O)N4CCc5c(N)cccc54)c3)sc2C1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.82

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
SCHEMBL10022534 0.90 ROCK2 (1.00) ROCK2
SCHEMBL307074 0.82 NPC1 (0.71) ROCK2
Hydrochloric Acid SCHEMBL324456 0.82 NPC1 (0.69) ROCK2
SCHEMBL10070382 0.81 ROCK2 (0.68) ROCK2
SCHEMBL10070381 0.80 ROCK2 (0.67) ROCK2
SCHEMBL10053614 0.80 ROCK2 (0.81) ROCK2
SCHEMBL10022686 0.80 ROCK2 (0.80) ROCK2
SCHEMBL324016 0.79 ROCK2 (0.70) ROCK2
SCHEMBL10022466 0.79 ROCK2 (1.00) ROCK2
SCHEMBL10066592 0.78 ROCK2 (0.80) ROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885

“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.