SCHEMBL10240069

SCHEMBL10240069

CCc1cc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6nccnc6O)CC5)nc34)cn2)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
KCNH2 Q12809 2/20 0.34
MTOR P42345 9/20 0.33
RPTOR Q8N122 3/20 0.33
MLST8 Q9BVC4 3/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
APLNR P35414 2/20 0.31
MET P08581 2/20 0.31
PARP1 P09874 1/20 0.31
PIK3CA P42336 2/20 0.31
RET P07949 1/20 0.31
KIF5B P33176 1/20 0.31
KDR P35968 1/20 0.31
ETV6 P41212 1/20 0.31
CCDC6 Q16204 1/20 0.31
TRPC6 Q9Y210 1/20 0.30

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
SCHEMBL10234951 0.91 DPP4 (0.33) DPP4KCNH2MTORRPTORMLST8
SCHEMBL10238158 0.86 APLNR (0.32) DPP4KCNH2MTORRPTORMLST8
SCHEMBL10240080 0.86 RET (0.40) KCNH2RETKIF5BKDRETV6
SCHEMBL10240071 0.85 CHEK1 (0.42) KCNH2MTORRPTORMLST8RET
SCHEMBL10240062 0.79 TMEM97 (0.34) MTORRPTORMLST8METPIK3CA
SCHEMBL10240016 0.79 MTOR (0.42) KCNH2MTORRPTORMLST8RET
SCHEMBL10240059 0.78 MAPK1 (0.37) MTORRPTORMLST8ALOX5APFEN1
SCHEMBL10240020 0.78 MTOR (0.42) KCNH2MTORRPTORMLST8RET
SCHEMBL10240029 0.78 MTOR (0.35) MTORRPTORMLST8RETKIF5B
SCHEMBL10240077 0.77 CHEK1 (0.42) KCNH2MTORRPTORMLST8RET

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 DPP4 888/4885KCNH2 4542/4885MTOR 1/4885

“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.