SCHEMBL2147626

SCHEMBL2147626

CC(=O)c1c([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)O)nc2c(-c3ccc(-c4nccs4)nc3)cnn2c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 4/20 0.40
▸ RPTOR Q8N122 4/20 0.40
▸ MLST8 Q9BVC4 4/20 0.40
▸ LCK P06239 3/20 0.35
▸ SRC P12931 3/20 0.35
▸ KDR P35968 3/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ RET P07949 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FGR P09769 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ KIF5B P33176 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
SCHEMBL12461421 1.00 MTOR (0.40) MTORRPTORMLST8LCKSRC
SCHEMBL12461401 1.00 MTOR (0.40) MTORRPTORMLST8LCKSRC
SCHEMBL2147627 1.00 MTOR (0.40) MTORRPTORMLST8LCKSRC
SCHEMBL14245948 1.00 MTOR (0.40) MTORRPTORMLST8LCKSRC
SCHEMBL17399312 1.00 MTOR (0.40) MTORRPTORMLST8LCKSRC
SCHEMBL14245952 1.00 MTOR (0.40) MTORRPTORMLST8LCKSRC
SCHEMBL14298154 0.90 MTOR (0.42) MTORRPTORMLST8LCKSRC
SCHEMBL17399327 0.90 MTOR (0.42) MTORRPTORMLST8LCKSRC
SCHEMBL2148051 0.90 MTOR (0.42) MTORRPTORMLST8LCKSRC
SCHEMBL14246060 0.90 MTOR (0.42) MTORRPTORMLST8LCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US claimed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 — — US claimed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 — — US disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 — — 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-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 MTOR 1/4885RPTOR 4/4885MLST8 35/4885

“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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