SCHEMBL2147029

SCHEMBL2147029

CONC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c1S(C)(=O)=O)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.52
▸ RPTOR Q8N122 5/20 0.52
▸ MLST8 Q9BVC4 5/20 0.52
▸ FLT3 P36888 2/20 0.37
▸ ALK Q9UM73 2/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ MET P08581 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ MAP2K2 P36507 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ CHEK1 O14757 2/20 0.36
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ KDR P35968 8/20 0.36
▸ RET P07949 7/20 0.36

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
SCHEMBL2147035 1.00 MTOR (0.52) MTORRPTORMLST8FLT3ALK
SCHEMBL14246582 1.00 MTOR (0.52) MTORRPTORMLST8FLT3ALK
SCHEMBL12461460 1.00 MTOR (0.52) MTORRPTORMLST8FLT3ALK
SCHEMBL14298491 1.00 MTOR (0.52) MTORRPTORMLST8FLT3ALK
SCHEMBL14298325 1.00 MTOR (0.52) MTORRPTORMLST8FLT3ALK
SCHEMBL14246581 1.00 MTOR (0.52) MTORRPTORMLST8FLT3ALK
SCHEMBL14246031 0.93 MTOR (0.53) MTORRPTORMLST8FLT3ALK
SCHEMBL17399423 0.93 MTOR (0.53) MTORRPTORMLST8FLT3ALK
SCHEMBL14246602 0.93 MTOR (0.53) MTORRPTORMLST8FLT3ALK
SCHEMBL2147054 0.93 MTOR (0.53) MTORRPTORMLST8FLT3ALK

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 4 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-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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