SCHEMBL4736800

SCHEMBL4736800

Nc1c[nH]c2c(=O)[nH]cnc12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNP P00491 13/20 0.50
ALDH1A1 P00352 1/20 0.50
PARP1 P09874 1/20 0.50
PDPK1 O15530 1/20 0.47

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
SCHEMBL9887964 0.79 PNP (0.60) PNP
SCHEMBL15628196 0.78 PDPK1 (0.55) PNPALDH1A1PARP1PDPK1
SCHEMBL2429951 0.78 PNP (0.49) PNPALDH1A1PDPK1
SCHEMBL13691975 0.76 PNP (0.62) PNP
SCHEMBL14087021 0.75 PNP (0.46) PNPALDH1A1PDPK1
SCHEMBL29951398 0.75 PNP (0.48) PNPALDH1A1PDPK1
SCHEMBL12715779 0.73 PDPK1 (0.53) PNPALDH1A1PDPK1
SCHEMBL22907451 0.73 PNP (0.55) PNPALDH1A1PDPK1
SCHEMBL3945500 0.73 PNP (0.45) PNPALDH1A1PDPK1
SCHEMBL22399745 0.72 PDPK1 (0.49) PNPALDH1A1PARP1PDPK1

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 6 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-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-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
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 PNP 1/4885ALDH1A1 2578/4885PARP1 1411/4885

“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.