SCHEMBL21964510

SCHEMBL21964510

CC(C)(C)OC(=O)n1ncc2nc(N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
TAOK1 Q7L7X3 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
MAP4K4 O95819 2/20 0.39
EEF2K O00418 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3B P49841 1/20 0.39
PRKX P51817 1/20 0.39
NEK4 P51957 1/20 0.39
PRKG2 Q13237 1/20 0.39
PKN2 Q16513 1/20 0.39
AURKB Q96GD4 1/20 0.39
PBK Q96KB5 1/20 0.39
SLK Q9H2G2 1/20 0.39
MAP3K20 Q9NYL2 1/20 0.39
ELANE P08246 1/20 0.38
CHEK2 O96017 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KA3 P51812 1/20 0.38

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
SCHEMBL29510641 1.00 ROCK2 (0.39) ROCK2ROCK1TAOK1CLK4MAP4K4
SCHEMBL24552717 0.83 ELANE (0.41) ROCK2ROCK1TAOK1CLK4MAP4K4
SCHEMBL31609633 0.83 ELANE (0.41) ROCK2ROCK1TAOK1CLK4MAP4K4
SCHEMBL29640123 0.81 ROCK2 (0.40) ROCK2ROCK1TAOK1CLK4MAP4K4
SCHEMBL29627963 0.80 GABRG2 (0.39) ROCK2ROCK1TAOK1CLK4MAP4K4
SCHEMBL30991776 0.79 ROCK2 (0.39) ROCK2ROCK1TAOK1CLK4MAP4K4
SCHEMBL21961591 0.79 ROCK2 (0.41) ROCK2ROCK1TAOK1CLK4MAP4K4
SCHEMBL21101820 0.78 EGFR (0.37) ROCK2ROCK1TAOK1CLK4MAP4K4
SCHEMBL625971 0.78 TAOK1 (0.65) ROCK2ROCK1TAOK1CLK4MAP4K4
SCHEMBL21874171 0.77 CHEK1 (0.41) TAOK1CLK4CHEK1AURKADAPK3

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-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 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-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 ROCK2 2007/4885ROCK1 1878/4885TAOK1 2045/4885

“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.