SCHEMBL5368084

SCHEMBL5368084

CC(C)(C)COP(=O)(O)C#Cc1nc2ncnc(N)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PKM P14618 1/20 0.36
PI4KA P42356 5/20 0.36
PI4K2B Q8TCG2 5/20 0.36
PI4K2A Q9BTU6 5/20 0.36
PI4KB Q9UBF8 5/20 0.36
APEX1 P27695 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.33
ENPP1 P22413 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PRMT5 O14744 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5368063 0.73 PI4KA (0.43) NUDT1ADORA2AADORA1PKMPI4KA
SCHEMBL4417426 0.64 ADORA2A (0.56) NUDT1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL887194 0.62 ADORA2A (0.58) NUDT1ADORA2AADORA1PKMPI4KA
Pyrophosphoric Acid SCHEMBL6065979 0.62 ADORA2A (0.71) NUDT1ADORA2AADORA1PKMPI4KA
SCHEMBL42314 0.61 ADORA2A (0.66) NUDT1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL29400753 0.61 ADORA2A (0.66) NUDT1ADORA2AADORA1PI4KAPI4K2B
Phosphoric Acid SCHEMBL21065573 0.61 ADORA2A (0.45) NUDT1ADORA2AADORA1PKMPI4KA
SCHEMBL5361209 0.61 PI4KA (0.58) PKMPI4KAPI4K2BPI4K2API4KB
SCHEMBL1059581 0.60 NUDT1 (0.68) NUDT1ADORA2AADORA1PKMPI4KA
SCHEMBL30109321 0.60 NUDT1 (0.68) NUDT1ADORA2AADORA1PKMPI4KA

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-7285543-B2 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-23 US disclosed
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase DANG QUN 2005-12-15 US disclosed
US-6967193-B1 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2005-11-22 US disclosed
US-6284748-B1 ANTIDIABETIC AGENT METABASIS THERAPEUTICS, INC. 2001-09-04 US disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 WO 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-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase FBP1, PNP, PPA1 NUDT1 47/4885ADORA2A 319/4885ADORA1 127/4885

“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.