SCHEMBL10240019

SCHEMBL10240019

Nc1c(C=O)c(C2CCN(C(=O)[C@@H](O)Cc3cnc[nH]3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.39
RPTOR Q8N122 3/20 0.39
MLST8 Q9BVC4 3/20 0.39
NLN Q9BYT8 3/20 0.36
CHEK1 O14757 3/20 0.33
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
BTK Q06187 2/20 0.33
SCN9A Q15858 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MMP2 P08253 1/20 0.32
CYP51A1 Q16850 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32

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
SCHEMBL10234861 0.89 MTOR (0.38) MTORRPTORMLST8NLNCHEK1
SCHEMBL7882687 0.84 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240023 0.84 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240150 0.83 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240142 0.82 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240009 0.81 MTOR (0.40) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240017 0.80 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240007 0.80 MTOR (0.45) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7881551 0.80 CHEK1 (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240005 0.80 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2

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 2 patents. 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
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.