SCHEMBL19759727

SCHEMBL19759727

COc1cc(F)cc(C(C)n2ccn(-c3ccc(-c4cn[nH]c4)c(OC)n3)c2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.51
GRK2 P25098 2/20 0.41

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
SCHEMBL19759591 0.91 ROCK2 (0.51) ROCK2GRK2
SCHEMBL19759703 0.89 ROCK2 (0.53) ROCK2GRK2
SCHEMBL19759729 0.89 ROCK2 (0.54) ROCK2GRK2
SCHEMBL19759724 0.86 ROCK2 (0.50) ROCK2GRK2
SCHEMBL19759722 0.85 ROCK2 (0.53) ROCK2
SCHEMBL19759702 0.82 ROCK2 (0.56) ROCK2GRK2
SCHEMBL19759622 0.80 ROCK2 (0.59) ROCK2
SCHEMBL19759793 0.80 ROCK2 (0.55) ROCK2
SCHEMBL19759594 0.80 ROCK2 (0.54) ROCK2GRK2
SCHEMBL19759590 0.78 ROCK2 (0.53) ROCK2GRK2

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-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-01-04 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-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA ROCK2 4/4885GRK2 1776/4885

“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.