SCHEMBL19759685

SCHEMBL19759685

COc1cccc(Cn2ccn(-c3ccc(-c4cn[nH]c4)cc3)c2=O)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.71
AURKA O14965 2/20 0.59
GRK2 P25098 2/20 0.59
ROCK1 Q13464 2/20 0.59
RPS6KA1 Q15418 2/20 0.59
PRKCB P05771 1/20 0.59
AKT1 P31749 1/20 0.59
GRK5 P34947 1/20 0.59
GRK6 P43250 1/20 0.59
CAMK2B Q13554 1/20 0.59
GRK7 Q8WTQ7 1/20 0.59

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
SCHEMBL19759691 0.88 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL19759688 0.87 ROCK2 (0.65) ROCK2GRK2
SCHEMBL19759687 0.87 AURKA (0.58) ROCK2AURKAGRK2ROCK1RPS6KA1
SCHEMBL19759774 0.87 ROCK2 (0.73) ROCK2
SCHEMBL19759689 0.86 ROCK2 (0.67) ROCK2
SCHEMBL17920319 0.85 ROCK2 (0.65) ROCK2
SCHEMBL19643514 0.83 ROCK2 (0.83) ROCK2AURKAGRK2ROCK1RPS6KA1
SCHEMBL19644001 0.83 ROCK2 (1.00) ROCK2AURKAGRK2ROCK1RPS6KA1
SCHEMBL19759738 0.82 ROCK2 (0.62) ROCK2GRK2
SCHEMBL19759681 0.82 ROCK2 (0.55) 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
EP-3242873-B1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-07-22 EP disclosed
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 4/4885AURKA 585/4885GRK2 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.