SCHEMBL15007530

SCHEMBL15007530

COCCOC(=O)C1(OCCOC)CCC(c2nc3c(-c4ccc(-c5ccn(C)n5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30

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
SCHEMBL15026300 1.00 DGAT1 (0.31) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15007529 1.00 DGAT1 (0.31) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15031453 0.91 DGAT1 (0.39) DGAT1CHEK1CCNA2CDK2CCNA1
SCHEMBL15007135 0.90 DGAT1 (0.31) DGAT1
SCHEMBL15026301 0.90 DGAT1 (0.31) DGAT1
SCHEMBL15007519 0.90 DGAT1 (0.31) DGAT1
SCHEMBL16222860 0.89 DGAT1 (0.34) DGAT1
SCHEMBL41253 0.89 DGAT1 (0.34) DGAT1
SCHEMBL16229240 0.89 — —
SCHEMBL16229239 0.89 — —

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-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 — — 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-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MTOR, RICTOR, RPTOR DGAT1 1477/4885CHEK1 1496/4885CCNA2 1900/4885

“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.

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