SCHEMBL20626310

SCHEMBL20626310

COc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)C(O)C2O)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.75
▸ ADORA2A P29274 3/20 0.75
▸ ADORA1 P30542 3/20 0.75
▸ PRKAG1 P54619 1/20 0.75
▸ PRKAA1 Q13131 1/20 0.75
▸ PRKAB1 Q9Y478 1/20 0.75
▸ SLC29A1 Q99808 2/20 0.71
▸ TP53 P04637 1/20 0.71
▸ TDP1 Q9NUW8 1/20 0.71
▸ ADORA2B P29275 1/20 0.70

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
SCHEMBL20626312 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1PRKAG1PRKAA1
SCHEMBL17824526 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1PRKAG1PRKAA1
SCHEMBL14713290 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1PRKAG1PRKAA1
SCHEMBL14714037 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1PRKAG1PRKAA1
SCHEMBL638245 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1PRKAG1PRKAA1
SCHEMBL17825947 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1PRKAG1PRKAA1
SCHEMBL638246 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1PRKAG1PRKAA1
SCHEMBL20626174 0.94 PRKAG1 (0.82) ADORA3ADORA2AADORA1PRKAG1PRKAA1
SCHEMBL20626170 0.94 PRKAG1 (0.82) ADORA3ADORA2AADORA1PRKAG1PRKAA1
SCHEMBL17825919 0.94 PRKAG1 (0.82) ADORA3ADORA2AADORA1PRKAG1PRKAA1

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-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 — — 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-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA2A 1/4885ADORA1 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.

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