SCHEMBL4879870

SCHEMBL4879870

COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1OCc1cccc(F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.71
PDPK1 O15530 4/20 0.71
MAPK8 P45983 3/20 0.71
MARK3 P27448 3/20 0.71
AURKB Q96GD4 3/20 0.71
JAK2 O60674 2/20 0.71
MARK2 Q7KZI7 2/20 0.71
EGFR P00533 2/20 0.71
GSK3B P49841 2/20 0.71
AURKA O14965 2/20 0.68
RPS6KB1 P23443 2/20 0.68
CDK2 P24941 2/20 0.68
PLK3 Q9H4B4 2/20 0.68
IRAK4 Q9NWZ3 2/20 0.68
PRKX P51817 2/20 0.53
ROCK2 O75116 1/20 0.53
TNK2 Q07912 1/20 0.53
CHEK2 O96017 2/20 0.52
AKT1 P31749 2/20 0.52
KIT P10721 1/20 0.52

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
SCHEMBL4856189 0.89 CHEK1 (0.82) CHEK1PDPK1MAPK8MARK3AURKB
SCHEMBL4859479 0.89 CHEK1 (0.71) CHEK1PDPK1MAPK8MARK3AURKB
SCHEMBL4849578 0.88 CHEK1 (0.71) CHEK1PDPK1MAPK8MARK3AURKB
SCHEMBL4857315 0.88 CHEK1 (0.74) CHEK1PDPK1MAPK8MARK3AURKB
SCHEMBL4853212 0.87 CHEK1 (0.84) CHEK1PDPK1MAPK8MARK3AURKB
SCHEMBL4858630 0.86 CHEK1 (0.77) CHEK1PDPK1MAPK8MARK3AURKB
SCHEMBL4857369 0.86 CHEK1 (0.77) CHEK1PDPK1MAPK8MARK3AURKB
SCHEMBL4849402 0.85 CHEK1 (0.72) CHEK1PDPK1MAPK8MARK3AURKB
SCHEMBL4849519 0.85 CHEK1 (0.74) CHEK1PDPK1MAPK8MARK3AURKB
SCHEMBL4852150 0.85 CHEK1 (0.81) CHEK1PDPK1MAPK8MARK3AURKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US claimed
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 38/4885PDPK1 118/4885MAPK8 158/4885

“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.