SCHEMBL4854073

SCHEMBL4854073

COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)Nc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1C#N

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 17/20 0.80
MARK3 P27448 2/20 0.80
MARK2 Q7KZI7 2/20 0.80
AURKB Q96GD4 2/20 0.80
CHEK2 O96017 1/20 0.80
KIT P10721 1/20 0.80
MAPK1 P28482 1/20 0.80
AKT1 P31749 1/20 0.80
IKBKB O14920 1/20 0.59
PDPK1 O15530 2/20 0.59
JAK2 O60674 2/20 0.59
MAPK8 P45983 2/20 0.59
AURKA O14965 1/20 0.59
RPS6KB1 P23443 1/20 0.59
CDK2 P24941 1/20 0.59
PLK3 Q9H4B4 1/20 0.59
IRAK4 Q9NWZ3 1/20 0.59
MAPT P10636 2/20 0.54
EGFR P00533 1/20 0.53
GSK3B P49841 1/20 0.53

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
SCHEMBL4849220 0.89 CHEK1 (0.84) CHEK1MARK3MARK2AURKBCHEK2
SCHEMBL4852677 0.86 CHEK1 (0.85) CHEK1MARK3MARK2AURKBCHEK2
SCHEMBL4858018 0.86 CHEK1 (0.85) CHEK1MARK3MARK2AURKBCHEK2
SCHEMBL4889204 0.86 CHEK1 (0.80) CHEK1MARK3MARK2AURKBCHEK2
SCHEMBL4849515 0.84 CHEK1 (0.81) CHEK1MARK3MARK2AURKBCHEK2
SCHEMBL4847921 0.83 CHEK1 (0.73) CHEK1MARK3MARK2AURKBCHEK2
SCHEMBL4855568 0.80 CHEK1 (0.80) CHEK1MARK3MARK2AURKBCHEK2
SCHEMBL4858336 0.80 CHEK1 (0.69) CHEK1MARK3MARK2AURKBCHEK2
SCHEMBL4851811 0.80 CHEK1 (0.69) CHEK1MARK3MARK2AURKBCHEK2
SCHEMBL4855398 0.79 CHEK1 (1.00) CHEK1MARK3MARK2AURKBCHEK2

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 9 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
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP claimed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US claimed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO 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 46/4885MARK3 466/4885MARK2 340/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885MARK3 468/4885MARK2 342/4885

“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.