SCHEMBL28936153

SCHEMBL28936153

COc1cc2c(cnn2C(=O)OC(C)(C)C)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.43
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
TAOK1 Q7L7X3 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
EEF2K O00418 1/20 0.39
MAP4K4 O95819 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
S100B P04271 1/20 0.38
CHEK2 O96017 1/20 0.38
PRKACA P17612 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
SCHEMBL29919579 0.85 ELANE (0.41) HSP90AB1ROCK2ROCK1TAOK1CLK4
SCHEMBL18555471 0.85 ELANE (0.41) HSP90AB1ROCK2ROCK1TAOK1CLK4
SCHEMBL16834691 0.83 ROCK2 (0.45) HSP90AB1ROCK2ROCK1TAOK1CLK4
SCHEMBL3518443 0.83 EGFR (0.45) HSP90AB1ROCK2ROCK1TAOK1CLK4
SCHEMBL18554805 0.79 EGFR (0.35) HSP90AB1ROCK2ROCK1TAOK1CLK4
SCHEMBL29545264 0.79 EGFR (0.35) HSP90AB1ROCK2ROCK1TAOK1CLK4
SCHEMBL23013455 0.77 ROCK2 (0.39) HSP90AB1ROCK2ROCK1TAOK1CLK4
SCHEMBL625971 0.77 TAOK1 (0.65) HSP90AB1ROCK2ROCK1TAOK1CLK4
SCHEMBL1032516 0.77 TAOK1 (0.50) HSP90AB1ROCK2ROCK1TAOK1CLK4
SCHEMBL29741629 0.77 ROCK2 (0.39) HSP90AB1ROCK2ROCK1TAOK1CLK4

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
CN-109020957-B Heterocyclic compounds as MNK inhibitors 南京天印健华医药科技有限公司(CN) 2023-01-13 CN disclosed
US-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NANJING INNOCARE PHARMA TECH CO., LTD. (CN) 2022-09-15 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-20220289719-A1 HETEROCYCLIC COMPOUNDS AS MNK INHIBITORS NIM1K, MAP3K1, MAPKAPK2 HSP90AB1 1238/4885ROCK2 701/4885ROCK1 497/4885

“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.