SCHEMBL24735955

SCHEMBL24735955

NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(CB(O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.79
ROCK1 Q13464 3/20 0.79
MYLK4 Q86YV6 1/20 0.79

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
SCHEMBL24735949 0.90 ROCK2 (0.76) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL30692376 0.88 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL9883166 0.88 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL21412824 0.88 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL30607237 0.88 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL30607238 0.88 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL30607241 0.88 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL21430354 0.88 ROCK2 (1.00) ROCK2ROCK1MYLK4
SCHEMBL22898365 0.87 ROCK2 (1.00) ROCK2ROCK1MYLK4
SCHEMBL20016619 0.87 ROCK2 (0.82) ROCK2ROCK1MYLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389035-A1 BORON-CONTAINING RHO KINASE INHIBITORS PERCIPIAD, INC. 2022-12-08 US 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-20220389035-A1 BORON-CONTAINING RHO KINASE INHIBITORS ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885MYLK4 96/4885

“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.