SCHEMBL4852852

SCHEMBL4852852

COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)O)cc2NC3=O)ccc1C(C)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.72
CHEK2 O96017 2/20 0.51
MARK3 P27448 2/20 0.51
AKT1 P31749 2/20 0.51
MARK2 Q7KZI7 2/20 0.51
AURKB Q96GD4 2/20 0.51
PLK4 O00444 1/20 0.51
MAPK13 O15264 1/20 0.51
PDPK1 O15530 1/20 0.51
DAPK3 O43293 1/20 0.51
DYRK3 O43781 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
CDK1 P06493 1/20 0.51
ROS1 P08922 1/20 0.51
PIM1 P11309 1/20 0.51
PHKG2 P15735 1/20 0.51

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
SCHEMBL4858793 0.91 CHEK1 (0.72) CHEK1CHEK2MARK3AKT1MARK2
SCHEMBL4858765 0.88 CHEK1 (0.69) CHEK1CHEK2MARK3AKT1MARK2
SCHEMBL4849596 0.88 CHEK1 (0.66) CHEK1CHEK2MARK3AKT1MARK2
SCHEMBL4854940 0.87 CHEK1 (0.67) CHEK1CHEK2MARK3AKT1MARK2
SCHEMBL4852284 0.85 CHEK1 (0.66) CHEK1CHEK2MARK3AKT1MARK2
SCHEMBL4851811 0.84 CHEK1 (0.69) CHEK1CHEK2MARK3AKT1MARK2
SCHEMBL4856990 0.84 CHEK1 (0.62) CHEK1MAP4K4CDK2GSK3BCLK4
SCHEMBL4850874 0.84 CHEK1 (1.00) CHEK1AURKBDAPK3PRKD3PIM1
SCHEMBL4856915 0.84 CHEK1 (0.61) CHEK1CHEK2MARK3AKT1MARK2
SCHEMBL4859952 0.83 CHEK1 (0.82) 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 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 46/4885CHEK2 28/4885MARK3 466/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CHEK2 19/4885MARK3 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.