SCHEMBL3518443

SCHEMBL3518443

CC(C)(C)OC(=O)n1ncc2cc(N)c(F)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
ITK Q08881 1/20 0.45
TAOK1 Q7L7X3 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
EEF2K O00418 1/20 0.40
MAP4K4 O95819 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3B P49841 1/20 0.40
PRKX P51817 1/20 0.40
NEK4 P51957 1/20 0.40
PRKG2 Q13237 1/20 0.40
PKN2 Q16513 1/20 0.40
AURKB Q96GD4 1/20 0.40
PBK Q96KB5 1/20 0.40
SLK Q9H2G2 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL20348862 0.85 EGFR (0.43) EGFRITKTAOK1CLK4ROCK2
SCHEMBL18345074 0.85 EGFR (0.43) EGFRITKTAOK1CLK4ROCK2
SCHEMBL16834691 0.84 ROCK2 (0.45) EGFRITKTAOK1CLK4ROCK2
SCHEMBL26204290 0.84 EGFR (0.43) EGFRITKTAOK1CLK4ROCK2
SCHEMBL30237888 0.84 ROCK2 (0.45) EGFRITKTAOK1CLK4ROCK2
SCHEMBL12058336 0.84 EGFR (0.41) EGFRITKTAOK1CLK4ROCK2
SCHEMBL28936153 0.83 HSP90AB1 (0.43) EGFRITKTAOK1CLK4ROCK2
SCHEMBL389988 0.82 EGFR (0.44) EGFRITKTAOK1CLK4ROCK2
SCHEMBL387774 0.82 EGFR (0.44) EGFRITKTAOK1CLK4ROCK2
SCHEMBL829659 0.81 ROCK2 (0.43) EGFRITKTAOK1CLK4ROCK2

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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 EGFR 724/4885ITK 341/4885TAOK1 3832/4885

“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.