SCHEMBL23927684

SCHEMBL23927684

CC(C)(C)N(CC(C(=O)Nc1cc2ccncc2s1)c1ccc(CO)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.44
ROCK1 Q13464 2/20 0.44
MYLK4 Q86YV6 1/20 0.44
NAMPT P43490 1/20 0.34

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
SCHEMBL23927679 1.00 ROCK2 (0.44) ROCK2ROCK1MYLK4NAMPT
SCHEMBL23501330 0.82 ROCK2 (0.64) ROCK2ROCK1MYLK4
SCHEMBL23109894 0.82 ROCK2 (0.64) ROCK2ROCK1MYLK4
SCHEMBL23501264 0.81 ROCK2 (0.48) ROCK2ROCK1MYLK4NAMPT
SCHEMBL23501263 0.81 ROCK2 (0.48) ROCK2ROCK1MYLK4NAMPT
SCHEMBL30744171 0.80 ROCK2 (0.45) ROCK2ROCK1MYLK4NAMPT
SCHEMBL23521448 0.80 ROCK2 (0.44) ROCK2ROCK1MYLK4NAMPT
SCHEMBL23927682 0.80 ROCK2 (0.44) ROCK2ROCK1MYLK4NAMPT
SCHEMBL28577772 0.79 ROCK2 (0.50) ROCK2ROCK1MYLK4
SCHEMBL28401817 0.79 ROCK2 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP 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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 ROCK2 3/4885ROCK1 1/4885MYLK4 127/4885

“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.