SCHEMBL4894289

SCHEMBL4894289

COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4ccncc4)cc2NC3=O)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.75
AURKB Q96GD4 6/20 0.75
PIM1 P11309 5/20 0.75
CDK5 Q00535 5/20 0.75
TAOK1 Q7L7X3 5/20 0.75
MAP4K4 O95819 4/20 0.75
GSK3A P49840 4/20 0.75
KDR P35968 4/20 0.75
DAPK3 O43293 4/20 0.75
PRKD3 O94806 4/20 0.75
MAPK8 P45983 4/20 0.75
MAP4K2 Q12851 4/20 0.75
DYRK1A Q13627 4/20 0.75
CLK4 Q9HAZ1 4/20 0.75
PRKX P51817 4/20 0.75
PDPK1 O15530 3/20 0.75
CHEK2 O96017 3/20 0.75
CDK1 P06493 3/20 0.75
CDK2 P24941 3/20 0.75
GSK3B P49841 3/20 0.75

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
SCHEMBL4890092 0.90 CHEK1 (0.76) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4855553 0.87 CHEK1 (0.72) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4887885 0.86 CHEK1 (0.69) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4848218 0.85 CHEK1 (0.73) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4856760 0.85 CHEK1 (0.84) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4849296 0.84 CHEK1 (1.00) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4858339 0.83 CHEK1 (0.75) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4849880 0.83 CHEK1 (0.78) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4857082 0.82 CHEK1 (0.73) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL16712594 0.82 CHEK1 (0.73) CHEK1AURKBPIM1CDK5TAOK1

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 46/4885AURKB 196/4885PIM1 374/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885AURKB 165/4885PIM1 464/4885

“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.