SCHEMBL10240029

SCHEMBL10240029

CCc1cc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6nnc[nH]6)CC5)nc34)cn2)ccc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.35
RPTOR Q8N122 3/20 0.35
MLST8 Q9BVC4 3/20 0.35
TRPC6 Q9Y210 11/20 0.34
RET P07949 5/20 0.34
KIF5B P33176 5/20 0.34
KDR P35968 5/20 0.34
LCK P06239 3/20 0.34
CSF1R P07333 3/20 0.34
LYN P07948 3/20 0.34
PDGFRB P09619 3/20 0.34
FGR P09769 3/20 0.34
KIT P10721 3/20 0.34
SRC P12931 3/20 0.34
PDGFRA P16234 3/20 0.34
FGFR2 P21802 3/20 0.34
BLK P51451 3/20 0.34
ABL1 P00519 2/20 0.34
NPM1 P06748 2/20 0.34
BCR P11274 2/20 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
SCHEMBL10234900 0.90 TRPC6 (0.34) MTORRPTORMLST8TRPC6RET
SCHEMBL7885321 0.89 MTOR (0.39) MTORRPTORMLST8TRPC6RET
SCHEMBL10240033 0.89 MTOR (0.39) MTORRPTORMLST8RETKIF5B
SCHEMBL10240030 0.88 MTOR (0.39) MTORRPTORMLST8RETKIF5B
SCHEMBL10240007 0.86 MTOR (0.45) MTORRPTORMLST8RETKIF5B
SCHEMBL10238090 0.86 CREBBP (0.36) MTORRPTORMLST8TRPC6RET
SCHEMBL7880980 0.86 HPGD (0.37) MTORRPTORMLST8RETKDR
SCHEMBL7876256 0.85 MTOR (0.40) MTORRPTORMLST8RETKIF5B
SCHEMBL10240085 0.84 MTOR (0.39) MTORRPTORMLST8RETKIF5B
SCHEMBL10240093 0.84 MTOR (0.38) MTORRPTORMLST8RETKIF5B

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.