SCHEMBL10240082

SCHEMBL10240082

Nc1c(C=O)c(C2CCN(C(=O)c3nnc[nH]3)CC2)nc2c(-c3ccc(-c4ccc5c(c4)CCO5)nc3)cnn12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTOR P42345 3/20 0.34
RPTOR Q8N122 3/20 0.34
MLST8 Q9BVC4 3/20 0.34
CYP11B2 P19099 1/20 0.31
PIK3CA P42336 1/20 0.31
MAPK10 P53779 2/20 0.31
DYRK1A Q13627 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLAU P00749 1/20 0.30
NSD2 O96028 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
SCHEMBL7880980 0.90 HPGD (0.37) ALDH1A1MTORRPTORMLST8RAB9A
SCHEMBL10234981 0.90 KDM4E (0.35) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10240036 0.87 KDM4E (0.36) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10240007 0.87 MTOR (0.45) MTORRPTORMLST8
SCHEMBL10240040 0.85 HSP90AA1 (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10240035 0.85 CYP11B2 (0.32) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7885321 0.85 MTOR (0.39) KDM4EALDH1A1MTORRPTORMLST8
SCHEMBL10240033 0.85 MTOR (0.39) MTORRPTORMLST8MAPT
SCHEMBL7876256 0.85 MTOR (0.40) MTORRPTORMLST8PIK3CA
SCHEMBL10240093 0.84 MTOR (0.38) MTORRPTORMLST8RAB9A

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 PDE4A 2061/4885PDE4B 1999/4885PDE4C 2501/4885

“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.