SCHEMBL4751248

SCHEMBL4751248

COc1ncnc2c(CN3CC[C@@H](CO)C3)n(C3CCCCO3)nc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 8/20 0.38
CD274 Q9NZQ7 8/20 0.38
MAPT P10636 1/20 0.35
DRD1 P21728 1/20 0.35
ATR Q13535 2/20 0.33
PDE10A Q9Y233 1/20 0.33
HTT P42858 1/20 0.32
CYP2C19 P33261 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
PIK3CD O00329 1/20 0.31
S1PR1 P21453 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
SCHEMBL4736667 0.85 PNP (0.34) DRD1CYP2C19
SCHEMBL12715593 0.85 PNP (0.34) DRD1CYP2C19
SCHEMBL13801686 0.75 MTAP (0.47) DRD1
SCHEMBL4736602 0.74 CYP2C19 (0.41) DRD1ATRCYP2C19
SCHEMBL4736590 0.72 CYP2C19 (0.37) DRD1ATRCYP2C19
SCHEMBL13726343 0.68 ATR (0.32) DRD1ATR
SCHEMBL4752520 0.67 CYP2C19 (0.40) DRD1ATRCYP2C19
SCHEMBL13726338 0.63 DRD1 (0.31) DRD1ATR
SCHEMBL23198574 0.63 PDCD1 (0.67) PDCD1CD274PDE10A
SCHEMBL4737296 0.62 MTAP (0.58)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173662-B2 Fused pyrimidines as inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-08 US disclosed
US-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases BIOCRYST PHARMACEUTICALS, INC. 2009-09-24 US disclosed
US-7553839-B2 5h-pyrrolo[3,2-D] pyrimidine inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2009-06-30 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-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases PNP, MTAP, TYMP PDCD1 1630/4885CD274 2269/4885MAPT 767/4885

“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.