SCHEMBL6760682

SCHEMBL6760682

CC(C)c1cccc(-c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.63
SLC29A1 Q99808 2/20 0.60
ADORA2A P29274 3/20 0.59
ADORA2B P29275 3/20 0.59
ADORA3 P0DMS8 2/20 0.58
ADORA1 P30542 2/20 0.58
DNPH1 O43598 2/20 0.58
DPP4 P27487 1/20 0.56
MEN1 O00255 1/20 0.56
SLC28A1 O00337 1/20 0.56
MAP3K7 O43318 1/20 0.56
SLC28A2 O43868 1/20 0.56
GAPDH P04406 1/20 0.56
MAPK1 P28482 1/20 0.56
STAT6 P42226 1/20 0.56
PI4KA P42356 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
DOT1L Q8TEK3 1/20 0.56

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
SCHEMBL16871754 0.87 ADORA3 (0.53) ADKSLC29A1ADORA3DNPH1
SCHEMBL6760523 0.87 DNPH1 (0.73) ADKSLC29A1ADORA3DNPH1MAPK1
SCHEMBL17363596 0.87 DNPH1 (0.71) DNPH1
SCHEMBL16871751 0.87 DNPH1 (0.51) ADKSLC29A1ADORA2AADORA2BDNPH1
SCHEMBL6765355 0.86 SLC29A1 (0.66) SLC29A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL19706257 0.86 DNPH1 (0.80) ADORA1DNPH1SMN1; SMN2
SCHEMBL17363599 0.86 DNPH1 (0.80) ADORA1DNPH1SMN1; SMN2
SCHEMBL17363602 0.86 DNPH1 (0.80) ADORA1DNPH1SMN1; SMN2
SCHEMBL6761689 0.85 DNPH1 (0.66) SLC29A1ADORA2AADORA3ADORA1DNPH1
SCHEMBL6423141 0.85 DNPH1 (0.71) ADKSLC29A1ADORA2AADORA2BADORA3

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 ADK 96/4885SLC29A1 18/4885ADORA2A 70/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 ADK 96/4885SLC29A1 18/4885ADORA2A 70/4885

“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.