SCHEMBL20626181

SCHEMBL20626181

OCC1OC(n2cnc3c(N[C@H](c4ccccc4)[C@@H](O)c4ccccc4)ncnc32)C(O)C1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.73
▸ ADORA2A P29274 3/20 0.73
▸ ADORA2B P29275 2/20 0.73
▸ ADORA1 P30542 2/20 0.73
▸ TSHR P16473 2/20 0.69
▸ NFKB1 P19838 2/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ PMP22 Q01453 2/20 0.69
▸ NPC1 O15118 2/20 0.69
▸ RAB9A P51151 2/20 0.69
▸ RXFP1 Q9HBX9 2/20 0.69
▸ TP53 P04637 2/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ ALOX12 P18054 1/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ HPGD P15428 1/20 0.69
▸ LMNA P02545 2/20 0.68
▸ SLC29A1 Q99808 2/20 0.68
▸ GLA P06280 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68

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
SCHEMBL14713380 1.00 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL14713387 1.00 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL14713245 1.00 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL20626386 1.00 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL20626476 1.00 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL20626184 1.00 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL20626477 1.00 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL20626301 1.00 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL20626397 1.00 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1TSHR
SCHEMBL14713244 1.00 ADORA3 (0.73) ADORA3ADORA2AADORA2BADORA1TSHR

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 1/4885ADORA2B 4/4885

“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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