Adenosine

Adenosine

SCHEMBL19107495

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3

The experimentally established mechanism targets of Adenosine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 known ✓ P0DMS8 4/20 1.00
ADORA2A known ✓ P29274 1/20 1.00
ADORA2B known ✓ P29275 1/20 1.00
ADORA1 known ✓ P30542 1/20 1.00
DPP4 P27487 1/20 1.00
MEN1 O00255 1/20 1.00
SLC28A1 O00337 1/20 1.00
MAP3K7 O43318 1/20 1.00
SLC28A2 O43868 1/20 1.00
GAPDH P04406 1/20 1.00
MAPK1 P28482 1/20 1.00
STAT6 P42226 1/20 1.00
PI4KA P42356 1/20 1.00
KMT2A Q03164 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
PI4K2B Q8TCG2 1/20 1.00
DOT1L Q8TEK3 1/20 1.00
SLC29A1 Q99808 1/20 1.00
PI4K2A Q9BTU6 1/20 1.00
SLC28A3 Q9HAS3 1/20 1.00

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
Adenosine SCHEMBL12352425 1.00 ADORA3 (1.00) ADORA3DPP4MEN1SLC28A1MAP3K7
Adenosine SCHEMBL1821276 1.00 ADORA3 (1.00) ADORA3DPP4MEN1SLC28A1MAP3K7
Adenosine SCHEMBL4522263 1.00 ADORA3 (1.00) ADORA3DPP4MEN1SLC28A1MAP3K7
Adenosine SCHEMBL13362239 1.00 ADORA3 (1.00) ADORA3DPP4MEN1SLC28A1MAP3K7
Adenosine SCHEMBL24538665 1.00 ADORA3 (1.00) ADORA3DPP4MEN1SLC28A1MAP3K7
Adenosine SCHEMBL2228590 1.00 ADORA3 (1.00) ADORA3DPP4MEN1SLC28A1MAP3K7
Adenosine SCHEMBL23804425 1.00 ADORA3 (1.00) ADORA3DPP4MEN1SLC28A1MAP3K7
Adenosine SCHEMBL406207 1.00 ADORA3 (1.00) ADORA3DPP4MEN1SLC28A1MAP3K7
Adenosine SCHEMBL23420216 1.00 ADORA3 (1.00) ADORA3DPP4MEN1SLC28A1MAP3K7
Adenosine SCHEMBL2403819 1.00 ADORA3 (1.00) ADORA3DPP4MEN1SLC28A1MAP3K7

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-11572383-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2023-02-07 US disclosed
US-20220125823-A1 EXTRAHEPATIC DELIVERY BANK OF AMERICA, N.A. 2022-04-28 US disclosed
US-20210230210-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2021-07-29 US disclosed
US-20190300561-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2019-10-03 US disclosed
US-20180134744-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS Epizyme, Inc. 2018-05-17 US disclosed
US-9701707-B2 Methods of synthesizing substituted purine compounds Epizyme, Inc. (US) 2017-07-11 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 (5 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-20210230210-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 ADORA3 290/4885ADORA2A 210/4885ADORA2B 456/4885
US-20220125823-A1 EXTRAHEPATIC DELIVERY RNASE1, LDLR, HAVCR2 ADORA3 2060/4885ADORA2A 1821/4885ADORA2B 1602/4885
US-20180134744-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS DOT1L, MECP2, TDP1 ADORA3 290/4885ADORA2A 210/4885ADORA2B 456/4885
US-11572383-B2 Methods of synthesizing substituted purine compounds DOT1L, MECP2, TDP1 ADORA3 290/4885ADORA2A 210/4885ADORA2B 456/4885
US-20190300561-A1 METHODS OF SYNTHESIZING SUBSTITUTED PURINE COMPOUNDS MECP2, DOT1L, DNMT1 ADORA3 244/4885ADORA2A 123/4885ADORA2B 369/4885

“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.