SCHEMBL4752520

SCHEMBL4752520

COc1ncnc2cn(C3CCCCO3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APEX1 P27695 1/20 0.34
PI4KA P42356 1/20 0.34
BLM P54132 1/20 0.34
ADCY1 Q08828 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
DRD1 P21728 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33
FLT3 P36888 2/20 0.33
APLNR P35414 2/20 0.33

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
SCHEMBL32684090 0.76 CYP2C19 (0.33) CYP2C19YTHDC1FLT3FGFR1FGFR2
SCHEMBL4736602 0.75 CYP2C19 (0.41) CYP2C19ALDH1A1MEN1KMT2ATP53
SCHEMBL4736590 0.73 CYP2C19 (0.37) CYP2C19ALDH1A1MEN1KMT2ATP53
SCHEMBL29131777 0.73 YTHDC1 (0.36) CYP2C19ALDH1A1MEN1KMT2ATP53
SCHEMBL32684989 0.73 CYP2C19 (0.31) CYP2C19FLT3SYKAURKB
SCHEMBL21621426 0.72 MAPK1 (0.36) MAPK1FLT3ATRSYKAURKB
SCHEMBL32684406 0.71 CYP2C19 (0.30) CYP2C19
SCHEMBL31638144 0.71 FLT3 (0.38) CYP2C19YTHDC1FLT3FGFR1FGFR2
SCHEMBL22836251 0.69 ATR (0.36) CYP2C19ALDH1A1MEN1KMT2AYTHDC1
SCHEMBL31138557 0.68 YTHDC1 (0.41) CYP2C19ALDH1A1YTHDC1CYP1A2TSHR

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 CYP2C19 2357/4885ALDH1A1 2578/4885MEN1 1421/4885

“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.