SCHEMBL2146996

SCHEMBL2146996

CS(=O)(=O)c1c([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C(F)(F)F)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.53
RPTOR Q8N122 5/20 0.53
MLST8 Q9BVC4 5/20 0.53
NTRK1 P04629 1/20 0.38
MET P08581 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
MAP2K2 P36507 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK8 P45983 1/20 0.38
GSK3B P49841 1/20 0.38
NTRK3 Q16288 1/20 0.38
ALK Q9UM73 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
NPC1 O15118 6/20 0.37
RAB9A P51151 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37

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
SCHEMBL14245825 1.00 MTOR (0.53) MTORRPTORMLST8NTRK1MET
SCHEMBL14298409 1.00 MTOR (0.53) MTORRPTORMLST8NTRK1MET
SCHEMBL14246511 0.91 MTOR (0.55) MTORRPTORMLST8NTRK1MET
SCHEMBL14246512 0.91 MTOR (0.55) MTORRPTORMLST8NTRK1MET
SCHEMBL14246244 0.91 MTOR (0.55) MTORRPTORMLST8NTRK1MET
SCHEMBL12461492 0.91 MTOR (0.55) MTORRPTORMLST8NTRK1MET
SCHEMBL2148009 0.91 MTOR (0.55) MTORRPTORMLST8NTRK1MET
SCHEMBL17399332 0.91 MTOR (0.55) MTORRPTORMLST8NTRK1MET
SCHEMBL14246509 0.91 MTOR (0.55) MTORRPTORMLST8NTRK1MET
SCHEMBL12460814 0.91 MTOR (0.51) 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 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.