SCHEMBL20626418

SCHEMBL20626418

O=C(O)[C@@H](Cc1ccc(O)cc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.68
ADORA2A P29274 3/20 0.68
ADORA1 P30542 2/20 0.68
TP53 P04637 2/20 0.68
ALDH1A1 P00352 2/20 0.68
PMP22 Q01453 2/20 0.68
CYP3A4 P08684 1/20 0.68
TSHR P16473 1/20 0.68
ALOX12 P18054 1/20 0.68
NFKB1 P19838 1/20 0.68
HIF1A Q16665 1/20 0.68
HPGD P15428 1/20 0.68
NPC1 O15118 1/20 0.68
ADORA2B P29275 1/20 0.68
RAB9A P51151 1/20 0.68
RXFP1 Q9HBX9 1/20 0.68
SLC6A2 P23975 1/20 0.62
SLC6A3 Q01959 1/20 0.62
SLC29A1 Q99808 1/20 0.61
TDP1 Q9NUW8 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
SCHEMBL20626434 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1TP53ALDH1A1
SCHEMBL14713392 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1TP53ALDH1A1
SCHEMBL20626420 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1TP53ALDH1A1
SCHEMBL14713405 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1TP53ALDH1A1
SCHEMBL20626435 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1TP53ALDH1A1
SCHEMBL14714120 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1TP53ALDH1A1
SCHEMBL14714044 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1TP53ALDH1A1
SCHEMBL20626187 0.93 ADORA3 (0.79) ADORA3ADORA2AADORA1TP53ALDH1A1
SCHEMBL20626158 0.93 ADORA3 (0.79) ADORA3ADORA2AADORA1TP53ALDH1A1
SCHEMBL14713386 0.93 ADORA3 (0.79) ADORA3ADORA2AADORA1TP53ALDH1A1

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.