SCHEMBL17357529

SCHEMBL17357529

C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.50
▸ AHCY P23526 1/20 0.47
▸ ADA P00813 1/20 0.42
▸ ADORA2B P29275 3/20 0.42
▸ ADORA3 P0DMS8 4/20 0.41
▸ DNMT1 P26358 1/20 0.40
▸ DNMT3B Q9UBC3 1/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SLC28A1 O00337 1/20 0.39
▸ MAP3K7 O43318 1/20 0.39
▸ SLC28A2 O43868 1/20 0.39
▸ GAPDH P04406 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ STAT6 P42226 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39

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
SCHEMBL16640151 0.85 ADORA2A (0.54) ADORA2AAHCYADAADORA2BADORA3
SCHEMBL29722607 0.84 ADORA2A (0.71) ADORA2AAHCYADORA2BADORA3ADORA1
SCHEMBL9395384 0.84 ADORA2A (0.71) ADORA2AAHCYADORA2BADORA3ADORA1
SCHEMBL9395400 0.84 ADORA2A (0.71) ADORA2AAHCYADORA2BADORA3ADORA1
SCHEMBL18874985 0.84 ADORA2A (0.71) ADORA2AAHCYADORA2BADORA3ADORA1
SCHEMBL23748425 0.84 ADORA2A (0.71) ADORA2AAHCYADORA2BADORA3ADORA1
SCHEMBL14583690 0.84 ADORA2A (0.71) ADORA2AAHCYADAADORA2BADORA3
SCHEMBL6838489 0.84 ADORA2A (0.71) ADORA2AAHCYADAADORA2BADORA3
SCHEMBL6379627 0.84 ADORA2A (0.71) ADORA2AAHCYADAADORA2BADORA3
SCHEMBL13301975 0.83 PDE4D (0.38) ADORA2AADASLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-28 — — US disclosed
US-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — US 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-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP ADORA2A 78/4885AHCY 274/4885ADA 13/4885

“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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