SCHEMBL5424941

SCHEMBL5424941

Nc1nc(=S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@]3(O)CF)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ ADORA2A P29274 5/20 0.44
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ STING1 Q86WV6 2/20 0.39
▸ ADA P00813 1/20 0.38
▸ NT5E P21589 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ ADORA3 P0DMS8 3/20 0.36
▸ ADORA2B P29275 3/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SLC29A1 Q99808 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SLC28A1 O00337 1/20 0.36

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
SCHEMBL5415616 0.88 ADORA2A (0.44) ALDH1A1ADORA2AKMT2ALMNAADA
SCHEMBL5419236 0.88 ADORA2A (0.44) ALDH1A1ADORA2AKMT2ALMNAADA
SCHEMBL19352192 0.84 ADORA2A (0.48) ADORA2AKMT2ALMNAADANT5E
SCHEMBL19352194 0.84 ADORA2A (0.48) ADORA2AKMT2ALMNAADANT5E
SCHEMBL5424936 0.83 ALDH1A1 (0.46) ALDH1A1ADORA2AGAAKMT2ALMNA
SCHEMBL19352193 0.80 ADORA3 (0.50) ADORA2ASTING1NT5EADORA3PDE3A
SCHEMBL14594720 0.80 ADORA3 (0.50) ADORA2ASTING1NT5EADORA3PDE3A
Thioguanosine SCHEMBL29430188 0.78 ADORA2A (0.54) ALDH1A1ADORA2AKMT2ALMNANT5E
Ateganosine SCHEMBL29420101 0.77 PNP (0.55) ALDH1A1LMNAHIF1ASMN1; SMN2PDE4D
Ateganosine SCHEMBL536937 0.77 PNP (0.55) ALDH1A1LMNAHIF1ASMN1; SMN2PDE4D

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-20070004669-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase CARROLL STEVEN S 2007-01-04 — — US claimed
EP-1551421-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO. INC. (US) 2005-07-13 — — EP claimed
WO-2004000858-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO., INC. (US) 2003-12-31 — — WO claimed
US-20070004669-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase CARROLL STEVEN S 2007-01-04 — — US disclosed
EP-1551421-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO. INC. (US) 2005-07-13 — — EP disclosed
WO-2004000858-A2 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE MERCK & CO., INC. (US) 2003-12-31 — — 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-20070004669-A1 Nucleoside derivatives as inhibitors of rna-dependent rna viral polymerase NSUN2, NSUN3, POLRMT ALDH1A1 1371/4885ADORA2A 416/4885GAA 761/4885

“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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