SCHEMBL4849778

SCHEMBL4849778

COc1cc(-c2ccc3c(c2)Nc2ccc(C(C)(C)C(=O)NCCc4cccc(F)c4)cc2NC3=O)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.66
PLK4 O00444 1/20 0.54
AURKA O14965 1/20 0.54
MAPK13 O15264 1/20 0.54
PDPK1 O15530 1/20 0.54
DAPK3 O43293 1/20 0.54
DYRK3 O43781 1/20 0.54
RPS6KA5 O75582 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
PRKCG P05129 1/20 0.54
CDK1 P06493 1/20 0.54
ROS1 P08922 1/20 0.54
PIM1 P11309 1/20 0.54
PHKG2 P15735 1/20 0.54
FER P16591 1/20 0.54
RPS6KB1 P23443 1/20 0.54

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
SCHEMBL4854009 0.94 CHEK1 (0.67) CHEK1PLK4AURKAMAPK13PDPK1
SCHEMBL4856359 0.88 CHEK1 (0.67) CHEK1
SCHEMBL4859084 0.87 CHEK1 (0.70) CHEK1
SCHEMBL4857404 0.87 CHEK1 (0.70) CHEK1
SCHEMBL4859129 0.87 CHEK1 (0.70) CHEK1
SCHEMBL4887249 0.86 CHEK1 (0.66) CHEK1PLK4AURKAMAPK13PDPK1
SCHEMBL4857867 0.85 CHEK1 (0.68) CHEK1
SCHEMBL4849502 0.85 CHEK1 (0.68) CHEK1
SCHEMBL4849170 0.85 CHEK1 (0.65) CHEK1
SCHEMBL4893919 0.85 CHEK1 (0.74) CHEK1

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 46/4885PLK4 363/4885AURKA 263/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885PLK4 374/4885AURKA 268/4885

“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.