SCHEMBL4856074

SCHEMBL4856074

COc1cc(-c2ccc3c(c2)Nc2ccc(CCn4cnc(CO)c4)cc2NC3=O)ccc1OCc1cscn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.44
AURKA O14965 1/20 0.44
KDR P35968 1/20 0.44
CHEK1 O14757 19/20 0.44
PDPK1 O15530 2/20 0.44
GSK3B P49841 2/20 0.44
JAK2 O60674 1/20 0.44
EGFR P00533 1/20 0.44
MARK3 P27448 1/20 0.44
MAPK8 P45983 1/20 0.44
MARK2 Q7KZI7 1/20 0.44
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
CDK1 P06493 1/20 0.40
PIM1 P11309 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL4855115 0.92 CHEK1 (0.45) AURKBAURKAKDRCHEK1PDPK1
SCHEMBL4857670 0.91 CHEK1 (0.43) AURKBAURKAKDRCHEK1PDPK1
SCHEMBL4858991 0.90 CHEK1 (0.44) AURKBAURKAKDRCHEK1PDPK1
SCHEMBL4852408 0.90 CHEK1 (0.46) AURKBAURKAKDRCHEK1PDPK1
SCHEMBL4858029 0.90 CHEK1 (0.47) AURKBAURKAKDRCHEK1PDPK1
SCHEMBL4849222 0.90 CHEK1 (0.46) AURKBAURKAKDRCHEK1PDPK1
SCHEMBL4848017 0.89 CHEK1 (0.42) AURKBAURKAKDRCHEK1PDPK1
SCHEMBL4847946 0.89 CHEK1 (0.43) AURKBAURKAKDRCHEK1PDPK1
SCHEMBL5423020 0.89 CHEK1 (0.49) AURKBCHEK1PDPK1GSK3BROCK2
SCHEMBL4851916 0.88 CHEK1 (0.42) AURKBAURKAKDRCHEK1PDPK1

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 AURKB 165/4885AURKA 268/4885KDR 819/4885

“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.