SCHEMBL4847648

SCHEMBL4847648

COc1cc(-c2ccc3c(c2)Nc2ccc(CCn4ccnc4-c4ccccc4)cc2NC3=O)ccc1OCc1cscn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.47
GSK3B P49841 2/20 0.41
AURKB Q96GD4 2/20 0.41
PDPK1 O15530 1/20 0.41
JAK2 O60674 1/20 0.41
EGFR P00533 1/20 0.41
MARK3 P27448 1/20 0.41
MAPK8 P45983 1/20 0.41
MARK2 Q7KZI7 1/20 0.41
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK2 P24941 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL4853779 0.92 CHEK1 (0.46) CHEK1GSK3BAURKBPDPK1JAK2
SCHEMBL4855309 0.90 CHEK1 (0.43) CHEK1GSK3BAURKBPDPK1JAK2
SCHEMBL4852089 0.86 CHEK1 (0.47) CHEK1GSK3BAURKBPDPK1JAK2
SCHEMBL4849222 0.86 CHEK1 (0.46) CHEK1GSK3BAURKBPDPK1JAK2
SCHEMBL4855810 0.84 CHEK1 (0.46) CHEK1GSK3BAURKBPDPK1JAK2
SCHEMBL4854993 0.84 CHEK1 (0.43) CHEK1GSK3BAURKBPDPK1JAK2
SCHEMBL4857688 0.83 CHEK1 (0.45) CHEK1GSK3BAURKBPDPK1JAK2
SCHEMBL4854124 0.83 CHEK1 (0.47) CHEK1GSK3BAURKBPDPK1JAK2
SCHEMBL4847946 0.82 CHEK1 (0.43) CHEK1GSK3BAURKBPDPK1JAK2
SCHEMBL4852550 0.82 CHEK1 (0.43) CHEK1GSK3BAURKBPDPK1JAK2

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 38/4885GSK3B 465/4885AURKB 165/4885

“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.