SCHEMBL4852322

SCHEMBL4852322

O=C(O)c1ccc2c(c1)NC(=O)c1ccc(-c3ccnc(F)c3)cc1N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.51
CLK4 Q9HAZ1 6/20 0.51
CDK2 P24941 5/20 0.51
GSK3B P49841 5/20 0.51
IRAK4 Q9NWZ3 5/20 0.51
CDC7 O00311 3/20 0.51
ROCK2 O75116 3/20 0.51
MKNK2 Q9HBH9 3/20 0.51
PRKACA P17612 2/20 0.49
CHEK1 O14757 10/20 0.47
BACE1 P56817 4/20 0.44
HIPK2 Q9H2X6 1/20 0.44
KDR P35968 5/20 0.42
DAPK3 O43293 3/20 0.42
PRKD3 O94806 3/20 0.42
PIM1 P11309 3/20 0.42
MAPK8 P45983 3/20 0.42
GSK3A P49840 3/20 0.42
CDK5 Q00535 3/20 0.42
MAP4K2 Q12851 3/20 0.42

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
SCHEMBL4859172 0.87 CHEK1 (0.50) MAP4K4CLK4CDK2GSK3BIRAK4
SCHEMBL4858583 0.84 CHEK1 (0.49) MAP4K4CLK4CDK2GSK3BIRAK4
SCHEMBL4850428 0.83 CDC7 (0.71) MAP4K4CLK4CDK2GSK3BIRAK4
SCHEMBL4850248 0.78 CHEK1 (0.64) MAP4K4CLK4CDK2GSK3BIRAK4
SCHEMBL4849727 0.74 CHEK1 (0.73) MAP4K4CLK4CDK2GSK3BIRAK4
SCHEMBL4851403 0.74 ABL1 (0.54) CDK2GSK3BIRAK4ROCK2CHEK1
SCHEMBL5654032 0.72 ACVR1 (0.62) CHEK1BACE1KDRPIM1CDK5
SCHEMBL1290992 0.68 IRAK4 (0.77) MAP4K4CLK4CDK2GSK3BIRAK4
SCHEMBL4855034 0.68 CHEK1 (0.64) MAP4K4CLK4CDK2GSK3BIRAK4
SCHEMBL23002820 0.67 MEN1 (0.60) CDK5PLK4PDPK1EGFRCDK1

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 4 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 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 MAP4K4 26/4885CLK4 701/4885CDK2 19/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 MAP4K4 35/4885CLK4 652/4885CDK2 11/4885

“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.