SCHEMBL4852846

SCHEMBL4852846

COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)O)cc2NC3=O)ccc1-c1ccncc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.56
MAP4K4 O95819 2/20 0.52
CDK2 P24941 2/20 0.52
GSK3B P49841 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
IRAK4 Q9NWZ3 2/20 0.52
CDC7 O00311 1/20 0.52
ROCK2 O75116 1/20 0.52
PRKACA P17612 1/20 0.52
HIPK2 Q9H2X6 1/20 0.52
CHEK2 O96017 2/20 0.45
MARK3 P27448 2/20 0.45
AKT1 P31749 2/20 0.45
AURKB Q96GD4 2/20 0.45
KIT P10721 1/20 0.45
MAPK1 P28482 1/20 0.45
MARK2 Q7KZI7 1/20 0.45
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
MAPK13 O15264 1/20 0.45

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
SCHEMBL4856990 0.87 CHEK1 (0.62) CHEK1MAP4K4CDK2GSK3BCLK4
SCHEMBL4857536 0.85 CHEK1 (0.61) CHEK1MAP4K4CDK2GSK3BCLK4
SCHEMBL4849596 0.81 CHEK1 (0.66) CHEK1MAP4K4CDK2GSK3BROCK2
SCHEMBL4858765 0.81 CHEK1 (0.69) CHEK1MAP4K4CDK2GSK3BCLK4
SCHEMBL4858793 0.81 CHEK1 (0.72) CHEK1CHEK2MARK3AKT1AURKB
SCHEMBL4854940 0.81 CHEK1 (0.67) CHEK1MAP4K4CDK2GSK3BROCK2
SCHEMBL4852852 0.80 CHEK1 (0.72) CHEK1MAP4K4CDK2GSK3BCLK4
SCHEMBL4852067 0.79 CHEK1 (0.61) CHEK1MAP4K4CDK2GSK3BROCK2
SCHEMBL4852284 0.79 CHEK1 (0.66) CHEK1CHEK2MARK3AKT1AURKB
SCHEMBL4851811 0.78 CHEK1 (0.69) CHEK1CHEK2MARK3AKT1AURKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885MAP4K4 35/4885CDK2 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.