SCHEMBL15031450

SCHEMBL15031450

COCCOC(=O)C1(OCCOC)CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2SC)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.39
▸ MTOR P42345 2/20 0.35
▸ RPTOR Q8N122 2/20 0.35
▸ MLST8 Q9BVC4 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.32
▸ TTK P33981 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
SCHEMBL15031453 0.92 DGAT1 (0.39) DGAT1MTORRPTORMLST8GPR119
SCHEMBL15007518 0.88 GRM4 (0.31) DGAT1
SCHEMBL20938 0.87 MTOR (0.39) DGAT1MTORRPTORMLST8GPR119
SCHEMBL14298306 0.83 DGAT1 (0.39) DGAT1MTORRPTORMLST8
SCHEMBL19722 0.83 GRM4 (0.32) DGAT1
SCHEMBL15007529 0.83 DGAT1 (0.31) DGAT1
SCHEMBL15007530 0.83 DGAT1 (0.31) DGAT1
SCHEMBL15026300 0.83 DGAT1 (0.31) DGAT1
SCHEMBL2147969 0.83 MTOR (0.46) DGAT1MTORRPTORMLST8
SCHEMBL16229238 0.82 MTOR (0.39) MTORRPTORMLST8

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
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — US disclosed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 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-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RPS6KA5, PAK5 DGAT1 1920/4885MTOR 1/4885RPTOR 11/4885

“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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