SCHEMBL4889329

SCHEMBL4889329

COc1cc(Nc2ccc3c(c2)Nc2ccc(C(C)(C)C(=O)Nc4ccc(N5CCOCC5)cc4)cc2NC3=O)ncn1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.66
IKBKB O14920 1/20 0.66
MARK3 P27448 2/20 0.48
MARK2 Q7KZI7 2/20 0.48
AURKB Q96GD4 2/20 0.48
CHEK2 O96017 1/20 0.48
KIT P10721 1/20 0.48
MAPK1 P28482 1/20 0.48
AKT1 P31749 1/20 0.48
JAK2 O60674 5/20 0.44
JAK3 P52333 4/20 0.41
MET P08581 2/20 0.41
JAK1 P23458 3/20 0.40
DGAT1 O75907 1/20 0.40
PDPK1 O15530 1/20 0.39
EGFR P00533 1/20 0.39
MAPK8 P45983 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL4886321 0.88 CHEK1 (0.63) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4888868 0.84 CHEK1 (0.72) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4849487 0.83 CHEK1 (0.64) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL5450351 0.83 CHEK1 (0.63) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4891936 0.82 CHEK1 (0.65) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4881049 0.81 CHEK1 (0.71) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4882434 0.80 CHEK1 (0.84) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4883979 0.79 CHEK1 (0.61) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4889204 0.78 CHEK1 (0.80) CHEK1IKBKBMARK3MARK2AURKB
SCHEMBL4880052 0.78 CHEK1 (1.00) CHEK1IKBKBMARK3MARK2AURKB

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 46/4885IKBKB 421/4885MARK3 466/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885IKBKB 358/4885MARK3 468/4885

“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.