SCHEMBL10240035

SCHEMBL10240035

CC(CO)(CO)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)CCO6)nc4)cnn3c(N)c2C=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NSD2 O96028 1/20 0.32
PIK3CA P42336 1/20 0.31
MAPK10 P53779 5/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
DYRK1A Q13627 1/20 0.31
MAPT P10636 1/20 0.31
MTOR P42345 2/20 0.31
RPTOR Q8N122 2/20 0.31
MLST8 Q9BVC4 2/20 0.31
NPC1 O15118 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
PRKDC P78527 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
SCHEMBL10240045 0.93 PIK3CA (0.35) ALDH1A1PIK3CARAB9ASMN1; SMN2MTOR
SCHEMBL10240036 0.91 KDM4E (0.36) CYP11B2PDE4APDE4BPDE4CPDE4D
SCHEMBL10234909 0.90 DYRK1A (0.33) CYP11B2PDE4APDE4BPDE4CPDE4D
SCHEMBL10240040 0.87 HSP90AA1 (0.38) CYP11B2PDE4APDE4BPDE4CPDE4D
SCHEMBL10240146 0.86 MTOR (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10240082 0.85 PDE4A (0.35) CYP11B2PDE4APDE4BPDE4CPDE4D
SCHEMBL7886260 0.84 CHEK1 (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2MTOR
SCHEMBL10240048 0.83 LCK (0.37) KDM4EALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10234925 0.82 PIK3CA (0.35) KDM4EALDH1A1PIK3CARAB9ASMN1; SMN2
SCHEMBL10240053 0.82 CHEK1 (0.34) MTORRPTORMLST8CHEK1

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 CYP11B2 2145/4885PDE4A 2061/4885PDE4B 1999/4885

“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.