Sugi Predict

Sugi Predict / Compounds / SCHEMBL4859700

SCHEMBL4859700

SCHEMBL4859700

CC(C)(O)C(C)(C)c1ccc2c(c1)NC(=O)c1ccc(Nc3cc(F)nc(F)c3)cc1N2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 12/20 0.62
▸ BACE1 P56817 2/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MAP4K2 Q12851 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ PKN2 Q16513 1/20 0.37
▸ CDC42BPA Q5VT25 1/20 0.37
▸ MINK1 Q8N4C8 1/20 0.37
▸ PRKD2 Q9BZL6 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37

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
SCHEMBL4855701 0.87 CHEK1 (0.60) CHEK1BACE1PDPK1MAP4K4EGFR
SCHEMBL4847679 0.87 CHEK1 (0.58) CHEK1BACE1PDPK1MAP4K4EGFR
SCHEMBL4859764 0.85 CHEK1 (0.56) CHEK1BACE1PDPK1MAP4K4EGFR
SCHEMBL4852366 0.84 CHEK1 (0.56) CHEK1BACE1PDPK1MAP4K4EGFR
SCHEMBL6397211 0.84 CHEK1 (0.55) CHEK1BACE1PDPK1MAP4K4EGFR
SCHEMBL4856629 0.83 CHEK1 (0.55) CHEK1BACE1PDPK1MAP4K4EGFR
SCHEMBL4849316 0.83 CHEK1 (0.54) CHEK1BACE1PDPK1MAP4K4EGFR
SCHEMBL4854711 0.82 CHEK1 (0.54) CHEK1BACE1PDPK1MAP4K4EGFR
SCHEMBL4856842 0.81 CHEK1 (0.52) CHEK1BACE1ROCK1IRAK4IKBKB
SCHEMBL4855376 0.80 CHEK1 (0.66) CHEK1BACE1PDPK1MAP4K4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 — — EP claimed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 — — US claimed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 — — US claimed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 — — EP disclosed
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
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 — — 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CHEK1 46/4885BACE1 4078/4885PDPK1 117/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885BACE1 4327/4885PDPK1 118/4885

“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.