SCHEMBL4823912

SCHEMBL4823912

COc1cc2c(cc1O)C(=O)c1c(-c3ccc(-c4ccc(OCOCC[Si](C)(C)C)cc4)cc3)nn(COCC[Si](C)(C)C)c1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.34
DGAT1 O75907 4/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
KDR P35968 3/20 0.32
AURKA O14965 1/20 0.32
NTRK1 P04629 1/20 0.32
AURKB Q96GD4 1/20 0.32
KLK7 P49862 1/20 0.32
RAB9A P51151 1/20 0.32
CHEK1 O14757 1/20 0.31
EGFR P00533 2/20 0.31
SRC P12931 2/20 0.31
EPHB4 P54760 2/20 0.31
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
HCK P08631 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL4813158 0.89 CHEK1 (0.40) TDP1DGAT1CHEK1PRKDC
SCHEMBL4811233 0.82 PRKDC (0.41) DGAT1CHEK1PRKDC
SCHEMBL4807566 0.81 CHEK1 (0.45) KDRAURKANTRK1AURKBCHEK1
SCHEMBL4815214 0.81 CHEK1 (0.45) KDRAURKANTRK1AURKBCHEK1
SCHEMBL4812740 0.70 CHEK1 (0.35) CHEK1
SCHEMBL4817374 0.70 CHEK1 (0.54) KDRAURKANTRK1AURKBCHEK1
SCHEMBL4816555 0.68 CHEK1 (0.43) CHEK1
SCHEMBL4817104 0.68 CHEK1 (0.43) CHEK1
SCHEMBL4814151 0.68 CHEK1 (0.40) DGAT1AURKAAURKBCHEK1PIK3CA
SCHEMBL4811592 0.68 CHEK1 (0.36) DGAT1KDRCHEK1EGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 TDP1 726/4885DGAT1 3033/4885CDK4 195/4885

“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.