Sugi Predict

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SCHEMBL4857784

SCHEMBL4857784

CC(C)(O)c1ccc2c(c1)NC(=O)c1ccc(Nc3c(F)c(F)nc(F)c3F)cc1N2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 12/20 0.68
▸ BACE1 P56817 2/20 0.37
▸ IKBKB O14920 1/20 0.35
▸ JUN P05412 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MAP4K2 Q12851 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ PKN2 Q16513 1/20 0.35
▸ CDC42BPA Q5VT25 1/20 0.35

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
SCHEMBL4854682 0.87 CHEK1 (0.64) CHEK1BACE1IKBKBJUNNFKB1
SCHEMBL4857538 0.81 CHEK1 (1.00) CHEK1BACE1IKBKBPDPK1MAP4K4
SCHEMBL4853456 0.78 CHEK1 (0.70) CHEK1ROCK1
SCHEMBL4852195 0.78 CHEK1 (0.93) CHEK1BACE1IKBKBJUNNFKB1
SCHEMBL4855191 0.78 CHEK1 (0.77) CHEK1BACE1PDPK1MAP4K4EGFR
SCHEMBL4859700 0.78 CHEK1 (0.62) CHEK1BACE1IKBKBJUNNFKB1
SCHEMBL4849319 0.78 CHEK1 (0.77) CHEK1BACE1PDPK1MAP4K4EGFR
SCHEMBL16712573 0.77 CHEK1 (0.52) CHEK1BACE1IKBKBCSF1RNTRK3
SCHEMBL5417577 0.77 CHEK1 (0.42) CHEK1
SCHEMBL4859120 0.76 CHEK1 (0.50) CHEK1BACE1IKBKBJUNNFKB1

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 8 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
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 — — EP claimed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 — — US claimed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 — — WO 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 4078/4885IKBKB 421/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885BACE1 4327/4885IKBKB 358/4885

“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.