SCHEMBL14713285

SCHEMBL14713285

OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc5c(c4)OCO5)ncnc32)[C@@H](O)C1O

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.75
PRKAA1 Q13131 1/20 0.75
PRKAB1 Q9Y478 1/20 0.75
SLC29A1 Q99808 4/20 0.71
ADORA3 P0DMS8 3/20 0.71
TP53 P04637 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
ADORA2A P29274 2/20 0.70
ADORA1 P30542 2/20 0.70
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
SCHEMBL27898344 1.00 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL20626299 1.00 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL20626363 1.00 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL14714098 1.00 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL1798216 0.88 PRKAG1 (0.58) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL14714087 0.88 ADORA3 (0.60) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL20626433 0.87 ADORA3 (0.64) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL20626432 0.87 ADORA3 (0.64) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL14713295 0.87 ADORA3 (0.64) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL1796692 0.87 PRKAG1 (0.59) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3

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-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 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-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 PRKAG1 115/4885PRKAA1 341/4885PRKAB1 129/4885

“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.