Sugi Predict

Sugi Predict / Compounds / SCHEMBL2147134

SCHEMBL2147134

SCHEMBL2147134

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 5/20 0.56
▸ RPTOR Q8N122 5/20 0.56
▸ MLST8 Q9BVC4 5/20 0.56
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ SENP8 Q96LD8 2/20 0.37
▸ SENP7 Q9BQF6 2/20 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
SCHEMBL12460260 1.00 MTOR (0.56) MTORRPTORMLST8NPC1RAB9A
SCHEMBL14244875 1.00 MTOR (0.56) MTORRPTORMLST8NPC1RAB9A
SCHEMBL14245487 1.00 MTOR (0.56) MTORRPTORMLST8NPC1RAB9A
SCHEMBL12460891 1.00 MTOR (0.56) MTORRPTORMLST8NPC1RAB9A
SCHEMBL12461085 0.93 MTOR (0.48) MTORRPTORMLST8NPC1RAB9A
SCHEMBL14245423 0.93 MTOR (0.48) MTORRPTORMLST8NPC1RAB9A
SCHEMBL14298262 0.93 MTOR (0.48) MTORRPTORMLST8NPC1RAB9A
SCHEMBL2148138 0.93 MTOR (0.48) MTORRPTORMLST8NPC1RAB9A
SCHEMBL2147336 0.92 MTOR (0.47) MTORRPTORMLST8NPC1RAB9A
SCHEMBL14245724 0.92 MTOR (0.47) MTORRPTORMLST8NPC1RAB9A

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 9 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-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
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
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.