SCHEMBL4858360

SCHEMBL4858360

COc1cc2c(cc1O)NC(=O)c1ccc(-c3ccc([N+](=O)[O-])c(OC)c3)cc1N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 1.00
PDPK1 O15530 1/20 0.69
ROCK2 O75116 1/20 0.69
RPS6KA5 O75582 1/20 0.69
MAP4K4 O95819 1/20 0.69
CHEK2 O96017 1/20 0.69
CDK1 P06493 1/20 0.69
PIM1 P11309 1/20 0.69
RPS6KB1 P23443 1/20 0.69
CDK2 P24941 1/20 0.69
AKT2 P31751 1/20 0.69
MAPKAPK2 P49137 1/20 0.69
CDK8 P49336 1/20 0.69
GSK3A P49840 1/20 0.69
GSK3B P49841 1/20 0.69
CDK9 P50750 1/20 0.69
RPS6KA3 P51812 1/20 0.69
PRKX P51817 1/20 0.69
PLK1 P53350 1/20 0.69
CDK5 Q00535 1/20 0.69

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
SCHEMBL4857570 1.00 CHEK1 (1.00) CHEK1PDPK1ROCK2RPS6KA5MAP4K4
SCHEMBL4848894 0.92 CHEK1 (1.00) CHEK1
SCHEMBL4855918 0.88 CHEK1 (0.80) CHEK1PDPK1ROCK2RPS6KA5MAP4K4
SCHEMBL4849127 0.86 CHEK1 (1.00) CHEK1
SCHEMBL4847658 0.86 CHEK1 (0.83) CHEK1
SCHEMBL16712567 0.86 CHEK1 (0.84) CHEK1
SCHEMBL16712623 0.86 CHEK1 (0.83) CHEK1
SCHEMBL4856211 0.86 CHEK1 (1.00) CHEK1
SCHEMBL4851738 0.86 CHEK1 (1.00) CHEK1
SCHEMBL4853048 0.85 CHEK1 (1.00) 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 46/4885PDPK1 117/4885ROCK2 486/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885PDPK1 118/4885ROCK2 483/4885

“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.