SCHEMBL21139431

SCHEMBL21139431

COc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.78
TP53 P04637 1/20 0.78
ADORA3 P0DMS8 1/20 0.78
TDP1 Q9NUW8 1/20 0.78
ADORA1 P30542 1/20 0.77
PRKAG1 P54619 2/20 0.73
PRKAA1 Q13131 2/20 0.73
PRKAB1 Q9Y478 2/20 0.73

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
SCHEMBL77457 1.00 SLC29A1 (0.78) SLC29A1TP53ADORA3TDP1ADORA1
SCHEMBL13966422 1.00 SLC29A1 (0.78) SLC29A1TP53ADORA3TDP1ADORA1
SCHEMBL17371112 1.00 SLC29A1 (0.78) SLC29A1TP53ADORA3TDP1ADORA1
SCHEMBL640072 1.00 SLC29A1 (0.78) SLC29A1TP53ADORA3TDP1ADORA1
SCHEMBL17824496 1.00 SLC29A1 (0.78) SLC29A1TP53ADORA3TDP1ADORA1
SCHEMBL640071 1.00 SLC29A1 (0.78) SLC29A1TP53ADORA3TDP1ADORA1
SCHEMBL17825909 1.00 SLC29A1 (0.78) SLC29A1TP53ADORA3TDP1ADORA1
SCHEMBL13975623 1.00 SLC29A1 (0.78) SLC29A1TP53ADORA3TDP1ADORA1
SCHEMBL25176309 0.99 SLC29A1 (0.77) SLC29A1TP53ADORA3TDP1ADORA1
SCHEMBL29697193 0.96 SLC29A1 (0.72) SLC29A1TP53ADORA3TDP1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ACADEMIA SINICA (TW) 2019-07-09 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-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ADORA2A, ADORA1, ADORA3 SLC29A1 6/4885TP53 3426/4885ADORA3 3/4885

“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.