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SCHEMBL20609

SCHEMBL20609

CCOC(=O)C1(C)CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.37
▸ MTOR P42345 3/20 0.37
▸ RPTOR Q8N122 3/20 0.37
▸ MLST8 Q9BVC4 3/20 0.37
▸ KDM4E B2RXH2 4/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GPR119 Q8TDV5 6/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ NFKB1 P19838 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NFKB2 Q00653 2/20 0.32
▸ RELA Q04206 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SQOR Q9Y6N5 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ STAT1 P42224 1/20 0.32

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
SCHEMBL20438 0.91 DGAT1 (0.38) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL20216 0.91 DGAT1 (0.38) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL15007521 0.91 DGAT1 (0.38) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL15007320 0.89 DGAT1 (0.38) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL15031417 0.85 KDM4E (0.42) MTORRPTORMLST8KDM4EL3MBTL1
SCHEMBL20873 0.85 KDM4E (0.42) MTORRPTORMLST8KDM4EL3MBTL1
SCHEMBL20539 0.85 DGAT1 (0.35) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL20981 0.84 DGAT1 (0.39) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL593419 0.83 HPGDS (0.39) DGAT1MTORRPTORMLST8KDM4E
SCHEMBL7878993 0.81 DGAT1 (0.36) DGAT1MTORRPTORMLST8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2608669-B1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2016-06-22 — — EP disclosed
EP-2608669-B1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2016-06-22 — — EP disclosed
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-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
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — US disclosed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 — — WO 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.