SCHEMBL4855860

SCHEMBL4855860

COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4cccnc4C)cc2NC3=O)ccc1OCc1csc(C)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.61
AURKB Q96GD4 2/20 0.44
PDPK1 O15530 2/20 0.44
JAK2 O60674 2/20 0.44
MAPK8 P45983 2/20 0.44
EGFR P00533 1/20 0.44
MARK3 P27448 1/20 0.44
GSK3B P49841 1/20 0.44
MARK2 Q7KZI7 1/20 0.44
AURKA O14965 2/20 0.43
KDR P35968 1/20 0.43
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL4858809 0.82 CHEK1 (0.60) CHEK1AURKBPDPK1MAPK8EGFR
SCHEMBL4857292 0.82 CHEK1 (0.60) CHEK1AURKBPDPK1JAK2MAPK8
SCHEMBL4855611 0.81 CHEK1 (0.69) CHEK1AURKBPDPK1JAK2MAPK8
SCHEMBL4857711 0.80 CHEK1 (0.62) CHEK1
SCHEMBL4849452 0.80 CHEK1 (0.63) CHEK1
SCHEMBL4856416 0.79 CHEK1 (0.64) CHEK1AURKBPDPK1JAK2MAPK8
SCHEMBL4850201 0.78 CHEK1 (0.47) CHEK1AURKBPDPK1JAK2MAPK8
SCHEMBL4856996 0.76 CHEK1 (0.48) CHEK1AURKBPDPK1JAK2MAPK8
SCHEMBL4853529 0.75 CHEK1 (0.46) CHEK1PDPK1JAK2MAPK8GSK3B
SCHEMBL4858033 0.75 CHEK1 (1.00) 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 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 38/4885AURKB 165/4885PDPK1 118/4885

“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.