Sugi Predict

Sugi Predict / Compounds / SCHEMBL21356

SCHEMBL21356

SCHEMBL21356

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCC(=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 6/20 0.40
▸ MTOR P42345 3/20 0.36
▸ RPTOR Q8N122 3/20 0.36
▸ MLST8 Q9BVC4 3/20 0.36
▸ CHEK1 O14757 3/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ RET P07949 1/20 0.32
▸ KIF5B P33176 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ ETV6 P41212 1/20 0.32
▸ MAPT P10636 4/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MAPK1 P28482 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
SCHEMBL15013908 0.96 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL15007294 0.92 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL15026290 0.91 CHEK1 (0.40) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL10327979 0.90 DGAT1 (0.40) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL2723620 0.90 DGAT1 (0.43) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL2680276 0.90 CHEK1 (0.41) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL7883028 0.90 DGAT1 (0.41) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL16086955 0.89 DGAT1 (0.41) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL15007528 0.89 DGAT1 (0.39) DGAT1MTORRPTORMLST8CHEK1
SCHEMBL20162 0.89 DGAT1 (0.42) 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 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.