SCHEMBL6758565

SCHEMBL6758565

CN(CCc1ccccc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.67
ADORA2B P29275 2/20 0.67
ADORA3 P0DMS8 6/20 0.65
ADORA1 P30542 4/20 0.65
NFKB1 P19838 2/20 0.65
TSHR P16473 2/20 0.65
THPO P40225 1/20 0.65
SLC29A1 Q99808 6/20 0.63
TP53 P04637 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
STAT6 P42226 1/20 0.62
ALDH1A1 P00352 2/20 0.60
PMP22 Q01453 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
RXFP1 Q9HBX9 2/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX12 P18054 1/20 0.60
HIF1A Q16665 1/20 0.60
HPGD P15428 1/20 0.60

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
SCHEMBL20626388 0.90 SLC29A1 (0.76) ADORA2AADORA2BADORA3ADORA1NFKB1
SCHEMBL20626389 0.90 SLC29A1 (0.76) ADORA2AADORA2BADORA3ADORA1NFKB1
SCHEMBL14713425 0.90 SLC29A1 (0.76) ADORA2AADORA2BADORA3ADORA1NFKB1
SCHEMBL7744330 0.90 SLC29A1 (0.76) ADORA2AADORA2BADORA3ADORA1NFKB1
SCHEMBL14714055 0.90 SLC29A1 (0.76) ADORA2AADORA2BADORA3ADORA1NFKB1
SCHEMBL6762627 0.87 SLC29A1 (0.65) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL6762520 0.86 SLC29A1 (0.64) ADORA2AADORA2BADORA3ADORA1TSHR
SCHEMBL27578761 0.86 SLC29A1 (0.62) ADORA2AADORA2BADORA3ADORA1NFKB1
SCHEMBL6758912 0.85 SLC29A1 (0.67) ADORA2AADORA2BADORA3ADORA1SLC29A1
SCHEMBL9140650 0.85 SLC29A1 (0.67) ADORA2AADORA2BADORA3ADORA1SLC29A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 US claimed
CN-1466591-A Nucleoside derivatives - 2004-01-07 CN claimed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 US claimed
US-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 US disclosed
CN-1466591-A Nucleoside derivatives - 2004-01-07 CN disclosed
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 WO disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 US disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 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 (2 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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 ADORA2A 70/4885ADORA2B 200/4885ADORA3 102/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 ADORA2A 70/4885ADORA2B 200/4885ADORA3 102/4885

“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.