SCHEMBL4244688

SCHEMBL4244688

O=c1[nH]cnc2c(CN3CC(COCc4ccccc4)C(OCc4ccccc4)C3)cn(COCc3ccccc3)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTAP Q13126 1/20 0.38
PNP P00491 7/20 0.36
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
IP6K1 Q92551 1/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CTSC P53634 1/20 0.32
CTSF Q9UBX1 1/20 0.32
LMNA P02545 1/20 0.31
HPRT1 P00492 1/20 0.31

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
SCHEMBL4244685 1.00 MTAP (0.38) MTAPPNPBCHEACHEIP6K1
SCHEMBL4736624 1.00 MTAP (0.38) MTAPPNPBCHEACHEIP6K1
SCHEMBL12715788 0.89 USP2 (0.35) MTAPPNPIP6K1HPRT1
SCHEMBL4736639 0.83 MTAP (0.39) MTAPBCHEACHE
SCHEMBL4736611 0.79 MTAP (0.33) MTAP
SCHEMBL12715836 0.75 USP2 (0.35) MTAP
SCHEMBL12715787 0.70 USP2 (0.31) MTAP
SCHEMBL13801674 0.70 HPRT1 (0.42) BCHEACHEIP6K1CTSVCTSL
SCHEMBL5351452 0.66 GBA1 (0.42) MTAPBCHEACHECTSLCTSB
SCHEMBL13801675 0.66 MTAP (0.35) MTAPPNP

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-7553839-B2 5h-pyrrolo[3,2-D] pyrimidine inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2009-06-30 US disclosed
US-20060160765-A1 Inhibitors of nucleoside phosphorylases and nucleosidases BIOCRYST PHARMACEUTICALS, INC. 2006-07-20 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-20060160765-A1 Inhibitors of nucleoside phosphorylases and nucleosidases PNP, MTAP, TYMP MTAP 2/4885PNP 1/4885BCHE 889/4885

“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.