SCHEMBL10240146

SCHEMBL10240146

CC(CO)(CO)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.41
RPTOR Q8N122 3/20 0.41
MLST8 Q9BVC4 3/20 0.41
NPC1 O15118 6/20 0.38
RAB9A P51151 5/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
HSD17B10 Q99714 2/20 0.38
STAT1 P42224 1/20 0.38
KDR P35968 4/20 0.37
RET P07949 3/20 0.37
KIF5B P33176 3/20 0.37
ETV6 P41212 3/20 0.37
KCNH2 Q12809 3/20 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
SCHEMBL10240048 0.91 LCK (0.37) MTORRPTORMLST8NPC1RAB9A
SCHEMBL7886260 0.90 CHEK1 (0.40) MTORRPTORMLST8NPC1RAB9A
SCHEMBL10234649 0.89 CHEK1 (0.43) MTORRPTORMLST8NPC1RAB9A
SCHEMBL10240142 0.89 MTOR (0.43) MTORRPTORMLST8NPC1RAB9A
SCHEMBL10234687 0.89 MTOR (0.40) MTORRPTORMLST8NPC1RAB9A
SCHEMBL10240053 0.89 CHEK1 (0.34) MTORRPTORMLST8KDRRET
SCHEMBL10240045 0.88 PIK3CA (0.35) MTORRPTORMLST8NPC1RAB9A
SCHEMBL10240017 0.87 MTOR (0.43) MTORRPTORMLST8NPC1RAB9A
SCHEMBL10240005 0.86 MTOR (0.42) MTORRPTORMLST8NPC1RAB9A
SCHEMBL10240035 0.86 CYP11B2 (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 15/4885

“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.