SCHEMBL2148138

SCHEMBL2148138

CC(=O)c1c([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)CO)nc2c(-c3ccc(-c4ccc(F)cc4)nc3)cnn2c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.48
RPTOR Q8N122 5/20 0.48
MLST8 Q9BVC4 5/20 0.48
KMT2A Q03164 10/20 0.39
RAB9A P51151 9/20 0.39
MEN1 O00255 9/20 0.39
NPC1 O15118 8/20 0.39
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
CASP3 P42574 1/20 0.37
BLM P54132 1/20 0.37
NCOA1 Q15788 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 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
SCHEMBL14245423 1.00 MTOR (0.48) MTORRPTORMLST8KMT2ARAB9A
SCHEMBL14298262 1.00 MTOR (0.48) MTORRPTORMLST8KMT2ARAB9A
SCHEMBL14246076 0.94 MTOR (0.45) MTORRPTORMLST8KMT2ARAB9A
SCHEMBL2147833 0.94 MTOR (0.45) MTORRPTORMLST8KMT2ARAB9A
SCHEMBL12460754 0.94 MTOR (0.45) MTORRPTORMLST8KMT2ARAB9A
SCHEMBL2147134 0.93 MTOR (0.56) MTORRPTORMLST8KMT2ARAB9A
SCHEMBL12460260 0.93 MTOR (0.56) MTORRPTORMLST8KMT2ARAB9A
SCHEMBL14244875 0.93 MTOR (0.56) MTORRPTORMLST8KMT2ARAB9A
SCHEMBL12460891 0.93 MTOR (0.56) MTORRPTORMLST8KMT2ARAB9A
SCHEMBL14245487 0.93 MTOR (0.56) MTORRPTORMLST8KMT2ARAB9A

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.