SCHEMBL4850752

SCHEMBL4850752

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

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.71
CDK2 P24941 1/20 0.58
CDK9 P50750 1/20 0.58
IRAK1 P51617 1/20 0.58
PTK2 Q05397 1/20 0.58
SRPK1 Q96SB4 1/20 0.58
SLK Q9H2G2 1/20 0.58
MAP4K5 Q9Y4K4 1/20 0.58

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
SCHEMBL4857209 1.00 CHEK1 (0.71) CHEK1CDK2CDK9IRAK1PTK2
SCHEMBL4886362 0.87 CHEK1 (0.63) CHEK1
SCHEMBL4856902 0.86 CHEK1 (0.66) CHEK1
SCHEMBL4882779 0.86 CHEK1 (0.62) CHEK1
SCHEMBL4879979 0.86 CHEK1 (0.62) CHEK1
SCHEMBL4853914 0.86 CHEK1 (0.66) CHEK1
SCHEMBL4850354 0.85 CHEK1 (0.71) CHEK1
SCHEMBL4855463 0.85 CHEK1 (0.60) CHEK1
SCHEMBL4859882 0.85 CHEK1 (0.60) CHEK1
SCHEMBL4855243 0.85 CHEK1 (0.60) 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 46/4885CDK2 19/4885CDK9 43/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CDK2 11/4885CDK9 45/4885

“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.