SCHEMBL21137433

SCHEMBL21137433

CC(C)(C)CC(=O)COc1cccc(-c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.52
ROCK1 Q13464 3/20 0.52
CLK2 P49760 2/20 0.51
AURKB Q96GD4 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
BLK P51451 1/20 0.51
CSNK2A1 P68400 1/20 0.51
STK3 Q13188 1/20 0.51
DYRK1A Q13627 1/20 0.51
STK17A Q9UEE5 1/20 0.51
ABCG2 Q9UNQ0 8/20 0.47
ABCB1 P08183 3/20 0.45
EGFR P00533 1/20 0.45
ITK Q08881 1/20 0.45
PDE5A O76074 2/20 0.42
TGFBR1 P36897 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
EEF2K O00418 1/20 0.41
MAP4K4 O95819 1/20 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
SCHEMBL877704 0.94 ROCK2 (0.54) ROCK2ROCK1CLK2AURKBCLK4
SCHEMBL877230 0.89 ROCK2 (0.65) ROCK2ROCK1CLK2AURKBCLK4
SCHEMBL30915546 0.89 ROCK2 (0.65) ROCK2ROCK1CLK2AURKBCLK4
SCHEMBL30915545 0.89 ROCK2 (0.65) ROCK2ROCK1CLK2AURKBCLK4
SCHEMBL878289 0.89 ROCK2 (0.53) ROCK2ROCK1CLK2AURKBCLK4
SCHEMBL876815 0.88 ROCK2 (0.54) ROCK2ROCK1CLK2AURKBCLK4
SCHEMBL3795123 0.87 ROCK2 (0.55) ROCK2ROCK1CLK2AURKBCLK4
SCHEMBL877337 0.87 ROCK2 (0.62) ROCK2ROCK1CLK2AURKBCLK4
SCHEMBL3794704 0.85 ROCK2 (0.48) ROCK2ROCK1CLK2AURKBCLK4
SCHEMBL877451 0.85 ABCG2 (0.55) ROCK2ABCG2ABCB1EGFRITK

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-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 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-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 ROCK2 1/4885ROCK1 2/4885CLK2 1983/4885

“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.