SCHEMBL4857677

SCHEMBL4857677

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.67
AURKB Q96GD4 6/20 0.63
PIM1 P11309 5/20 0.63
CDK5 Q00535 5/20 0.63
TAOK1 Q7L7X3 5/20 0.63
CDK9 P50750 4/20 0.63
CDK2 P24941 4/20 0.63
MAP4K5 Q9Y4K4 4/20 0.63
MAP4K4 O95819 4/20 0.63
GSK3A P49840 4/20 0.63
PRKX P51817 4/20 0.63
SRPK1 Q96SB4 3/20 0.63
PDPK1 O15530 3/20 0.63
CHEK2 O96017 3/20 0.63
CDK1 P06493 3/20 0.63
GSK3B P49841 3/20 0.63
CAMK2D Q13557 3/20 0.63
PBK Q96KB5 3/20 0.63
STK17A Q9UEE5 3/20 0.63
CDK8 P49336 3/20 0.63

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
SCHEMBL4852139 0.85 CHEK1 (0.69) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4854888 0.84 CHEK1 (0.69) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4857209 0.84 CHEK1 (0.71) CHEK1CDK9CDK2MAP4K5SRPK1
SCHEMBL4850752 0.84 CHEK1 (0.71) CHEK1CDK9CDK2MAP4K5SRPK1
SCHEMBL4852172 0.82 CHEK1 (0.80) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4860069 0.81 CHEK1 (1.00) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4849157 0.80 CHEK1 (0.72) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4858729 0.80 CHEK1 (0.78) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4849727 0.79 CHEK1 (0.73) CHEK1AURKBPIM1CDK5TAOK1
SCHEMBL4850212 0.79 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.