Sugi Predict

Sugi Predict / Compounds / SCHEMBL6659533

SCHEMBL6659533

SCHEMBL6659533

COC[C@H]1O[C@@H](n2cnc3c(N[C@H](C)Cc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.82
▸ ADORA2B P29275 5/20 0.82
▸ ADORA3 P0DMS8 3/20 0.82
▸ TP53 P04637 1/20 0.82
▸ CYP3A4 P08684 1/20 0.82
▸ TSHR P16473 1/20 0.82
▸ ALOX12 P18054 1/20 0.82
▸ NFKB1 P19838 1/20 0.82
▸ HIF1A Q16665 1/20 0.82
▸ ALDH1A1 P00352 1/20 0.82
▸ HPGD P15428 1/20 0.82
▸ PMP22 Q01453 1/20 0.82
▸ NPC1 O15118 1/20 0.82
▸ ADORA1 P30542 1/20 0.82
▸ RAB9A P51151 1/20 0.82
▸ RXFP1 Q9HBX9 1/20 0.82

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
(S)-Pia SCHEMBL25566838 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3TP53CYP3A4
(R)-Pia SCHEMBL8907369 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3TP53CYP3A4
(S)-Pia SCHEMBL25566839 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3TP53CYP3A4
(S)-Pia SCHEMBL6762494 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3TP53CYP3A4
(R)-Pia SCHEMBL29389146 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3TP53CYP3A4
(S)-Pia SCHEMBL25566844 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3TP53CYP3A4
(S)-Pia SCHEMBL14829806 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3TP53CYP3A4
(S)-Pia SCHEMBL122932 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3TP53CYP3A4
(S)-Pia SCHEMBL29616978 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3TP53CYP3A4
(S)-Pia SCHEMBL2506660 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3TP53CYP3A4

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 9 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-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 — — US 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 ADORA2A 9/4885ADORA2B 30/4885ADORA3 2/4885

“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.