SCHEMBL15032987

SCHEMBL15032987

CC(=O)c1c(N)n2ncc(-c3ccc(-c4ccccc4)nc3)c2nc1[C@H]1CC[C@@](O)(CS(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.42
RPTOR Q8N122 3/20 0.42
MLST8 Q9BVC4 3/20 0.42
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
FLT3 P36888 1/20 0.37
MAPK8 P45983 1/20 0.37
GSK3B P49841 1/20 0.37
NTRK3 Q16288 1/20 0.37
ALK Q9UM73 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
RET P07949 2/20 0.36
KIF5B P33176 2/20 0.36
KDR P35968 2/20 0.36
ETV6 P41212 2/20 0.36
KCNH2 Q12809 2/20 0.36
CCDC6 Q16204 2/20 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
SCHEMBL15007276 1.00 MTOR (0.42) MTORRPTORMLST8NTRK1MET
SCHEMBL15007275 1.00 MTOR (0.42) MTORRPTORMLST8NTRK1MET
SCHEMBL20915 0.91 MTOR (0.42) MTORRPTORMLST8RETKIF5B
SCHEMBL15031636 0.91 MTOR (0.42) MTORRPTORMLST8RETKIF5B
SCHEMBL15007234 0.91 MTOR (0.42) MTORRPTORMLST8RETKIF5B
SCHEMBL15031638 0.91 MTOR (0.42) MTORRPTORMLST8RETKIF5B
SCHEMBL21487 0.91 MTOR (0.42) MTORRPTORMLST8RETKIF5B
SCHEMBL15031632 0.91 MTOR (0.42) MTORRPTORMLST8RETKIF5B
SCHEMBL15007314 0.91 MTOR (0.40) MTORRPTORMLST8NTRK1MET
SCHEMBL31241 0.90 MTOR (0.41) MTORRPTORMLST8NTRK1MET

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 3 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-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.