SCHEMBL4852610

SCHEMBL4852610

CN(C)C(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3cc[nH]c(=O)c3)cc1N2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.68
AURKB Q96GD4 2/20 0.41
CHEK2 O96017 1/20 0.41
KIT P10721 1/20 0.41
MARK3 P27448 1/20 0.41
MAPK1 P28482 1/20 0.41
AKT1 P31749 1/20 0.41
MARK2 Q7KZI7 1/20 0.41
CDK5 Q00535 2/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL4857254 0.87 CHEK1 (0.53) CHEK1AURKBCHEK2KITMARK3
SCHEMBL4850248 0.82 CHEK1 (0.64) CHEK1AURKBCHEK2KITMARK3
SCHEMBL4856953 0.81 CHEK1 (0.79) CHEK1AURKBCHEK2KITMARK3
SCHEMBL4858933 0.78 CHEK1 (0.51) CHEK1AURKBCHEK2KITMARK3
SCHEMBL4853680 0.78 CHEK1 (1.00) CHEK1
SCHEMBL4858287 0.78 CHEK1 (1.00) CHEK1
SCHEMBL4852506 0.76 CHEK1 (0.80) CHEK1AURKBCHEK2KITMARK3
SCHEMBL4854806 0.74 CHEK1 (0.77) CHEK1AURKBCHEK2KITMARK3
SCHEMBL4847921 0.73 CHEK1 (0.73) CHEK1AURKBCHEK2KITMARK3
SCHEMBL4852204 0.72 CHEK1 (0.80) CHEK1AURKBCHEK2CDK5CDK1

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 196/4885CHEK2 28/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885AURKB 165/4885CHEK2 19/4885

“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.