SCHEMBL4752489

SCHEMBL4752489

Nc1ncnc2c(CN3CC[C@@H](CSCc4ccccc4)C3)n[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTAP Q13126 8/20 0.50
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.35
GRIN2B Q13224 4/20 0.35
ACHE P22303 2/20 0.35
GRIN2A Q12879 2/20 0.34
ROCK2 O75116 1/20 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
SCHEMBL10064789 0.85 MTAP (0.69) MTAP
SCHEMBL4736878 0.82 MTAP (0.74) MTAP
SCHEMBL12715892 0.82 MTAP (0.74) MTAP
SCHEMBL13813963 0.79 MTAP (0.41) MTAP
SCHEMBL10065059 0.72 MTAP (0.40) MTAPCYP1A2CYP2D6HIF1ALMNA
SCHEMBL9888244 0.70 PNP (0.56) MTAP
SCHEMBL21067802 0.67 MTAP (1.00) MTAP
SCHEMBL12715583 0.67 MTAP (1.00) MTAP
SCHEMBL4736877 0.67 MTAP (1.00) MTAP
SCHEMBL15593314 0.67 MTAP (0.57) MTAP

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 2 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

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 MTAP 2/4885CYP1A2 3057/4885CYP2D6 2556/4885

“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.