SCHEMBL21495

SCHEMBL21495

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(C2CCC(O)(CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.36
MTOR P42345 3/20 0.35
RPTOR Q8N122 3/20 0.35
MLST8 Q9BVC4 3/20 0.35
CHEK1 O14757 3/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CCNA1 P78396 3/20 0.32
MAPT P10636 3/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
STAT1 P42224 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
NR2F2 P24468 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
SCHEMBL15031467 0.92 DGAT1 (0.38) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL20153 0.92 DGAT1 (0.37) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL21266 0.92 DGAT1 (0.37) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL20525 0.91 DGAT1 (0.42) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL15031469 0.91 DGAT1 (0.42) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL10237872 0.90 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL16222854 0.89 DGAT1 (0.36) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL2705109 0.88 CHEK1 (0.43) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL15007389 0.88 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL10251338 0.88 DGAT1 (0.40) DGAT1MTORRPTORMLST8CHEK1

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 10 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
WO-2012027239-A1 NOVEL PYRAZOLO[1,5-a]PYRROLO[3,2-e]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.