SCHEMBL4811233

SCHEMBL4811233

COc1cc2c(cc1OCOCC[Si](C)(C)C)C(=O)c1c(-c3ccc(C#N)cc3)nn(COCC[Si](C)(C)C)c1-2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 8/20 0.41
CHEK1 O14757 8/20 0.37
DGAT1 O75907 1/20 0.36
NSD2 O96028 2/20 0.36

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 0.90 CHEK1 (0.40) PRKDCCHEK1DGAT1NSD2
SCHEMBL4823912 0.82 TDP1 (0.34) PRKDCCHEK1DGAT1
SCHEMBL4813990 0.82 CHEK1 (0.48) CHEK1
SCHEMBL4817374 0.73 CHEK1 (0.54) CHEK1
SCHEMBL4806272 0.72 CHEK1 (0.52) CHEK1
SCHEMBL4814292 0.72 CHEK1 (0.44) CHEK1
SCHEMBL4814974 0.72 CHEK1 (0.44) PRKDCCHEK1DGAT1
SCHEMBL4813077 0.70 CHEK1 (0.75) CHEK1
SCHEMBL15312108 0.68 DGAT1 (0.35) CHEK1DGAT1
SCHEMBL4817734 0.67

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 PRKDC 38/4885CHEK1 73/4885DGAT1 3033/4885

“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.