SCHEMBL23927718

SCHEMBL23927718

CC(C)(CCC(C(=O)Nc1cc2ccncc2s1)c1ccc(O)cc1)OC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.43
ROCK1 Q13464 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
RET P07949 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
FLT1 P17948 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL23927592 0.88 ROCK2 (0.38) ROCK2ROCK1CHEK1AURKADAPK3
SCHEMBL23927613 0.88 ROCK2 (0.38) ROCK2ROCK1CHEK1AURKADAPK3
SCHEMBL23927627 0.88 ROCK2 (0.39) ROCK2ROCK1CHEK1AURKADAPK3
SCHEMBL23501428 0.88 ROCK2 (0.39) ROCK2ROCK1CHEK1AURKADAPK3
SCHEMBL23501373 0.86 ROCK2 (0.38) ROCK2ROCK1MYLK4
SCHEMBL23501446 0.85 ROCK2 (0.37) ROCK2ROCK1MYLK4
SCHEMBL23501406 0.84 ROCK2 (0.36) ROCK2ROCK1MYLK4
SCHEMBL28405939 0.83 ROCK2 (0.48) ROCK2ROCK1CHEK1AURKADAPK3
SCHEMBL23501464 0.81 ROCK2 (0.63) ROCK2ROCK1MYLK4
SCHEMBL30744158 0.81 ROCK2 (0.63) 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 1/4885CHEK1 338/4885

“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.