SCHEMBL20626366

SCHEMBL20626366

C[C@H](Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 1/20 0.74
▸ PRKAA1 Q13131 1/20 0.74
▸ PRKAB1 Q9Y478 1/20 0.74
▸ SLC29A1 Q99808 5/20 0.72
▸ TP53 P04637 2/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ HIF1A Q16665 2/20 0.62
▸ ABCC4 O15439 1/20 0.62
▸ SLC28A3 Q9HAS3 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ TSHR P16473 1/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ ADORA2A P29274 1/20 0.61

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
SCHEMBL12580130 1.00 PRKAG1 (0.74) PRKAG1PRKAA1PRKAB1SLC29A1TP53
SCHEMBL14714038 1.00 PRKAG1 (0.74) PRKAG1PRKAA1PRKAB1SLC29A1TP53
SCHEMBL14713338 1.00 PRKAG1 (0.74) PRKAG1PRKAA1PRKAB1SLC29A1TP53
SCHEMBL12579942 0.88 PRKAG1 (0.82) PRKAG1PRKAA1PRKAB1TP53CYP3A4
SCHEMBL20626446 0.88 PRKAG1 (0.82) PRKAG1PRKAA1PRKAB1TP53CYP3A4
SCHEMBL14714112 0.88 PRKAG1 (0.82) PRKAG1PRKAA1PRKAB1TP53CYP3A4
SCHEMBL20626448 0.88 PRKAG1 (0.82) PRKAG1PRKAA1PRKAB1TP53CYP3A4
SCHEMBL20626342 0.88 PRKAG1 (0.82) PRKAG1PRKAA1PRKAB1TP53CYP3A4
SCHEMBL20626169 0.88 PRKAG1 (0.82) PRKAG1PRKAA1PRKAB1TP53CYP3A4
SCHEMBL14713328 0.88 PRKAG1 (0.82) PRKAG1PRKAA1PRKAB1TP53CYP3A4

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 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.

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