SCHEMBL4853101

SCHEMBL4853101

COc1cc(-c2ccc3c(c2)Nc2ccc(CCO)cc2NC3=O)ccc1-c1nnco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.52
AURKB Q96GD4 2/20 0.47
AURKA O14965 1/20 0.47
KDR P35968 1/20 0.47
PDPK1 O15530 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
CDK1 P06493 1/20 0.46
PIM1 P11309 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
AKT2 P31751 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
CDK8 P49336 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CDK9 P50750 1/20 0.46
RPS6KA3 P51812 1/20 0.46

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
SCHEMBL4850201 0.84 CHEK1 (0.47) CHEK1AURKBAURKAKDRPDPK1
SCHEMBL4848035 0.82 CHEK1 (0.47) CHEK1AURKBAURKAPDPK1RPS6KB1
SCHEMBL4856845 0.81 CHEK1 (0.70) CHEK1AURKBAURKAKDRPDPK1
SCHEMBL4855160 0.81 CHEK1 (0.71) CHEK1AURKBAURKAPDPK1ROCK2
SCHEMBL4857477 0.78 CHEK1 (0.74) CHEK1AURKBAURKAKDR
SCHEMBL4859066 0.77 CHEK1 (0.79) CHEK1
SCHEMBL4855590 0.77 CHEK1 (0.64) CHEK1AURKBAURKAKDRPDPK1
SCHEMBL4855907 0.75 CHEK1 (0.51) CHEK1AURKBAURKAKDR
SCHEMBL4850212 0.74 CHEK1 (0.73) CHEK1AURKBAURKAKDRPDPK1
SCHEMBL4854884 0.74 CHEK1 (0.50) CHEK1AURKBAURKAKDRPDPK1

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 165/4885AURKA 268/4885

“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.