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SCHEMBL4856910

SCHEMBL4856910

CC(C)(O)c1ccc2c(c1)NC(=O)c1ccc(Nc3ccnc(Nc4ccnc(Cl)c4)c3)cc1N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 10/20 1.00
▸ MKNK1 Q9BUB5 3/20 0.39
▸ MKNK2 Q9HBH9 4/20 0.39
▸ MAP4K4 O95819 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ MAP4K2 Q12851 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ CDC42BPA Q5VT25 1/20 0.39
▸ MINK1 Q8N4C8 1/20 0.39
▸ PRKD2 Q9BZL6 1/20 0.39
▸ STK17A Q9UEE5 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
SCHEMBL4852195 0.96 CHEK1 (0.93) CHEK1MKNK1MKNK2MAP4K4CDK2
SCHEMBL4852581 0.86 CHEK1 (0.75) CHEK1MKNK2MAP4K4CDK2IRAK4
SCHEMBL4857686 0.86 CHEK1 (0.75) CHEK1MKNK2MAP4K4CDK2IRAK4
SCHEMBL4857538 0.84 CHEK1 (1.00) CHEK1MKNK2MAP4K4CDK2IRAK4
SCHEMBL4853456 0.83 CHEK1 (0.70) CHEK1ROCK1CDC7
SCHEMBL4855191 0.82 CHEK1 (0.77) CHEK1MKNK1MKNK2MAP4K4CDK2
SCHEMBL4849319 0.82 CHEK1 (0.77) CHEK1MKNK1MKNK2MAP4K4CDK2
SCHEMBL4850357 0.82 CHEK1 (0.73) CHEK1MKNK2MAP4K4CDK2IRAK4
SCHEMBL4854250 0.82 CHEK1 (0.69) CHEK1MKNK2MAP4K4CDK2IRAK4
SCHEMBL4848979 0.81 CHEK1 (0.69) CHEK1MKNK1MKNK2MAP4K4CDK2

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 9 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
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 46/4885MKNK1 91/4885MKNK2 64/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885MKNK1 83/4885MKNK2 55/4885

“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.