SCHEMBL4852774

SCHEMBL4852774

COc1cc(-c2ccc3c(c2)Nc2cc(OCCCCO[Si](C)(C)C(C)(C)C)c(OC)cc2NC3=O)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 5/20 0.75
KDR P35968 3/20 0.75
AURKA O14965 1/20 0.75
CHEK1 O14757 19/20 0.58
PIM1 P11309 4/20 0.52
CDK5 Q00535 4/20 0.52
TAOK1 Q7L7X3 4/20 0.52
CDK9 P50750 3/20 0.52
PRKX P51817 3/20 0.52
MAP4K4 O95819 3/20 0.52
GSK3A P49840 3/20 0.52
CHEK2 O96017 3/20 0.52
CDK1 P06493 3/20 0.52
CDK8 P49336 2/20 0.52
PDPK1 O15530 2/20 0.52
CDK2 P24941 2/20 0.52
GSK3B P49841 2/20 0.52
CAMK2B Q13554 2/20 0.52
CAMK2D Q13557 2/20 0.52
PBK Q96KB5 2/20 0.52

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
SCHEMBL4856314 0.86 CHEK1 (0.75) CHEK1
SCHEMBL4857572 0.86 AURKB (1.00) AURKBKDRAURKACHEK1PIM1
SCHEMBL4857283 0.84 AURKA (0.51) AURKBKDRAURKACHEK1FLT3
SCHEMBL4849262 0.81 CHEK1 (0.74) CHEK1
SCHEMBL4857110 0.77 CHEK1 (0.77) AURKBKDRAURKACHEK1MAP4K4
SCHEMBL4857378 0.77 CHEK1 (0.54) AURKBKDRAURKACHEK1MAP4K4
SCHEMBL4853284 0.75 CHEK1 (0.54) AURKBKDRAURKACHEK1MAP4K4
SCHEMBL4860069 0.74 CHEK1 (1.00) AURKBKDRAURKACHEK1PIM1
SCHEMBL4859265 0.74 CHEK1 (0.71) AURKBKDRAURKACHEK1PRKX
SCHEMBL4856731 0.74 CHEK1 (0.62) AURKBKDRAURKACHEK1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
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
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AURKB 196/4885KDR 952/4885AURKA 263/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 AURKB 165/4885KDR 819/4885AURKA 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.