SCHEMBL6657460

SCHEMBL6657460

COC[C@H]1O[C@@H](n2cnc3c(NCCCN)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.66
▸ SLC29A1 Q99808 1/20 0.66
▸ ADORA1 P30542 4/20 0.62
▸ P2RX3 P56373 1/20 0.61
▸ P2RX2 Q9UBL9 1/20 0.61
▸ ADORA2A P29274 2/20 0.59
▸ LMNA P02545 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPK1 P28482 1/20 0.57

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
SCHEMBL6657467 1.00 ADORA3 (0.66) ADORA3SLC29A1ADORA1P2RX3P2RX2
SCHEMBL9413321 0.91 SLC29A1 (0.75) ADORA3SLC29A1ADORA1P2RX3P2RX2
SCHEMBL9413325 0.91 SLC29A1 (0.75) ADORA3SLC29A1ADORA1P2RX3P2RX2
SCHEMBL25698352 0.88 SLC29A1 (0.80) ADORA3SLC29A1ADORA1ADORA2ALMNA
SCHEMBL20705944 0.88 SLC29A1 (0.80) ADORA3SLC29A1ADORA1ADORA2ALMNA
SCHEMBL20705924 0.87 P2RX3 (0.72) SLC29A1ADORA1P2RX3P2RX2
SCHEMBL25698378 0.87 P2RX3 (0.72) SLC29A1ADORA1P2RX3P2RX2
SCHEMBL14344779 0.86 ADORA3 (0.70) ADORA3SLC29A1ADORA1ADORA2A
SCHEMBL25698843 0.86 ADORA3 (0.61) ADORA3SLC29A1ADORA1P2RX3P2RX2
SCHEMBL8079835 0.86 ADORA3 (0.51) ADORA3SLC29A1ADORA1P2RX3P2RX2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 — — EP claimed
US-20030158146-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 — — US claimed
EP-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 — — EP disclosed
US-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 — — US disclosed
US-20030158146-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 — — US disclosed
US-6544960-B1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2003-04-08 — — US disclosed
EP-1030856-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 — — EP disclosed
WO-1999024451-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 — — WO 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-20030158146-A1 Chemical compounds CNR1, ADORA3, ADORA1 ADORA3 2/4885SLC29A1 528/4885ADORA1 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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