Sugi Predict

Sugi Predict / Compounds / SCHEMBL2147395

SCHEMBL2147395

SCHEMBL2147395

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.50
▸ RPTOR Q8N122 5/20 0.50
▸ MLST8 Q9BVC4 5/20 0.50
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ FLT3 P36888 2/20 0.34
▸ ALK Q9UM73 2/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ MET P08581 1/20 0.34
▸ PIM1 P11309 1/20 0.34

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
SCHEMBL14245835 1.00 MTOR (0.50) MTORRPTORMLST8HPGDNPC1
SCHEMBL14298392 0.90 MTOR (0.44) MTORRPTORMLST8TTKDGAT1
SCHEMBL14298330 0.89 MTOR (0.54) MTORRPTORMLST8HPGDNPC1
SCHEMBL2147860 0.89 MTOR (0.54) MTORRPTORMLST8HPGDNPC1
SCHEMBL14245299 0.89 MTOR (0.54) MTORRPTORMLST8HPGDNPC1
SCHEMBL14298049 0.89 MTOR (0.54) MTORRPTORMLST8HPGDNPC1
SCHEMBL14246366 0.89 MTOR (0.45) MTORRPTORMLST8HPGDNPC1
SCHEMBL12461460 0.86 MTOR (0.52) MTORRPTORMLST8HPGDNPC1
SCHEMBL14246581 0.86 MTOR (0.52) MTORRPTORMLST8HPGDNPC1
SCHEMBL14246582 0.86 MTOR (0.52) MTORRPTORMLST8HPGDNPC1

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
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
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 — — WO 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.