SCHEMBL5066600

SCHEMBL5066600

Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)S1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 11/20 0.63
▸ ADORA2B P29275 3/20 0.61
▸ ADORA3 P0DMS8 3/20 0.55
▸ ADORA2A P29274 2/20 0.55
▸ ADORA1 P30542 2/20 0.55
▸ DPP4 P27487 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ SLC28A1 O00337 1/20 0.55
▸ MAP3K7 O43318 1/20 0.55
▸ SLC28A2 O43868 1/20 0.55
▸ GAPDH P04406 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ STAT6 P42226 1/20 0.55
▸ PI4KA P42356 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PI4K2B Q8TCG2 1/20 0.55
▸ DOT1L Q8TEK3 1/20 0.55
▸ SLC29A1 Q99808 1/20 0.55
▸ PI4K2A Q9BTU6 1/20 0.55

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
SCHEMBL5066601 1.00 AHCY (0.63) AHCYADORA2BADORA3ADORA2AADORA1
SCHEMBL12642436 1.00 AHCY (0.63) AHCYADORA2BADORA3ADORA2AADORA1
SCHEMBL8913539 1.00 AHCY (0.63) AHCYADORA2BADORA3ADORA2AADORA1
SCHEMBL8913548 1.00 AHCY (0.63) AHCYADORA2BADORA3ADORA2AADORA1
SCHEMBL8912042 0.84 AHCY (0.62) AHCYADORA3ADORA2ASMN1; SMN2
SCHEMBL9445334 0.84 AHCY (0.62) AHCYADORA3ADORA2ASMN1; SMN2
SCHEMBL8912036 0.84 AHCY (0.62) AHCYADORA3ADORA2ASMN1; SMN2
SCHEMBL2911889 0.84 AHCY (0.44) AHCYADORA2BADORA3ADORA2AADORA1
SCHEMBL9445342 0.83 AHCY (0.67) AHCYADORA2BADORA3ADORA2AADORA1
SCHEMBL8913115 0.83 AHCY (0.67) AHCYADORA2BADORA3ADORA2AADORA1

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
WO-1994001117-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-20 — — WO claimed
EP-0491793-A4 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS — 1993-03-03 — — EP claimed
EP-0491793-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1992-07-01 — — EP claimed
WO-1991004033-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1991-04-04 — — WO claimed
US-20080058276-A1 Cis, trans isomerization; serine, threonine profile; therapy, prevention neurodegenerative disorders CORNELL RESEARCH FOUNDATION, INC. (US) 2008-03-06 — — US disclosed
WO-1994001117-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-20 — — WO disclosed
EP-0491793-A4 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS — 1993-03-03 — — EP disclosed
EP-0491793-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1992-07-01 — — EP disclosed
WO-1991004033-A1 2'-DEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AND ANTICANCER AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1991-04-04 — — 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-20080058276-A1 Cis, trans isomerization; serine, threonine profile; therapy, prevention neurodegenerative disorders APP, PSEN1, PIN1 AHCY 509/4885ADORA2B 3567/4885ADORA3 3345/4885

“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.

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