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SCHEMBL30552

SCHEMBL30552

COCCO[C@]1(C(=O)NOC)CC[C@H](c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2S(C)(=O)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.39
▸ RPTOR Q8N122 3/20 0.39
▸ MLST8 Q9BVC4 3/20 0.39
▸ GPR119 Q8TDV5 1/20 0.35
▸ RET P07949 5/20 0.35
▸ KIF5B P33176 5/20 0.35
▸ KDR P35968 5/20 0.35
▸ ETV6 P41212 5/20 0.35
▸ CCDC6 Q16204 4/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ MET P08581 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ MAP2K2 P36507 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ ALK Q9UM73 1/20 0.34

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
SCHEMBL15031495 1.00 MTOR (0.39) MTORRPTORMLST8GPR119RET
SCHEMBL15007286 1.00 MTOR (0.39) MTORRPTORMLST8GPR119RET
SCHEMBL15007206 0.95 MTOR (0.39) MTORRPTORMLST8GPR119RET
SCHEMBL15031494 0.95 MTOR (0.39) MTORRPTORMLST8GPR119RET
SCHEMBL15007208 0.95 MTOR (0.39) MTORRPTORMLST8GPR119RET
SCHEMBL15007319 0.93 MTOR (0.41) MTORRPTORMLST8GPR119RET
SCHEMBL15007318 0.93 MTOR (0.41) MTORRPTORMLST8GPR119RET
SCHEMBL15031433 0.93 MTOR (0.41) MTORRPTORMLST8GPR119RET
SCHEMBL15031496 0.93 MTOR (0.37) MTORRPTORMLST8GPR119RET
SCHEMBL15006903 0.93 MTOR (0.37) MTORRPTORMLST8GPR119RET

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 8 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 claimed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US claimed
EP-2608669-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-03 — — EP claimed
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — US claimed
WO-2012027236-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 — — WO claimed
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-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 MTOR 1/4885RPTOR 11/4885MLST8 100/4885

“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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