SCHEMBL21193

SCHEMBL21193

COCCO[C@]1(C(=O)O)CC[C@@H](c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2SC)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.40
▸ RPTOR Q8N122 3/20 0.40
▸ MLST8 Q9BVC4 3/20 0.40
▸ KDR P35968 7/20 0.36
▸ RET P07949 6/20 0.36
▸ KIF5B P33176 6/20 0.36
▸ ETV6 P41212 6/20 0.36
▸ CCDC6 Q16204 5/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL15007185 1.00 MTOR (0.40) MTORRPTORMLST8KDRRET
SCHEMBL15007186 1.00 MTOR (0.40) MTORRPTORMLST8KDRRET
SCHEMBL20938 0.94 MTOR (0.39) MTORRPTORMLST8KDRRET
SCHEMBL15007183 0.90 CHEK1 (0.43) MTORRPTORMLST8KDRRET
SCHEMBL15031455 0.90 CHEK1 (0.43) MTORRPTORMLST8KDRRET
SCHEMBL15007182 0.90 CHEK1 (0.43) MTORRPTORMLST8KDRRET
SCHEMBL15007167 0.90 MTOR (0.40) MTORRPTORMLST8KDRRET
SCHEMBL15031446 0.90 MTOR (0.40) MTORRPTORMLST8KDRRET
SCHEMBL15007169 0.90 MTOR (0.40) MTORRPTORMLST8KDRRET
SCHEMBL15007319 0.88 MTOR (0.41) MTORRPTORMLST8KDRRET

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 6 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
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
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 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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