SCHEMBL4857536

SCHEMBL4857536

COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)O)cc2NC3=O)ccc1-c1ccc(F)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.61
CHEK2 O96017 2/20 0.49
MARK3 P27448 2/20 0.49
AKT1 P31749 2/20 0.49
AURKB Q96GD4 2/20 0.49
KIT P10721 1/20 0.49
MAPK1 P28482 1/20 0.49
MARK2 Q7KZI7 1/20 0.49
PLK4 O00444 1/20 0.49
AURKA O14965 1/20 0.49
MAPK13 O15264 1/20 0.49
PDPK1 O15530 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
RPS6KA5 O75582 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
PRKCG P05129 1/20 0.49

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
SCHEMBL4856990 0.86 CHEK1 (0.62) CHEK1MAP4K4CDK2GSK3BCLK4
SCHEMBL4852846 0.85 CHEK1 (0.56) CHEK1CHEK2MARK3AKT1AURKB
SCHEMBL4858765 0.84 CHEK1 (0.69) CHEK1CHEK2MARK3AKT1AURKB
SCHEMBL4849596 0.84 CHEK1 (0.66) CHEK1CHEK2MARK3AKT1AURKB
SCHEMBL4852067 0.83 CHEK1 (0.61) CHEK1CHEK2MARK3AKT1AURKB
SCHEMBL4854940 0.83 CHEK1 (0.67) CHEK1CHEK2MARK3AKT1AURKB
SCHEMBL4852852 0.82 CHEK1 (0.72) CHEK1CHEK2MARK3AKT1AURKB
SCHEMBL4856915 0.82 CHEK1 (0.61) CHEK1CHEK2MARK3AKT1AURKB
SCHEMBL4855034 0.81 CHEK1 (0.64) CHEK1MAP4K4CDK2KDRFLT3
SCHEMBL4858793 0.81 CHEK1 (0.72) CHEK1CHEK2MARK3AKT1AURKB

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CHEK2 19/4885MARK3 468/4885

“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.