SCHEMBL5089261

SCHEMBL5089261

CCC(CC)Nc1nc(NCCc2ccccn2)nc2c1ncn2[C@@H]1O[C@H](c2nnn(C)n2)[C@@H](O)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.46
ADORA2A P29274 16/20 0.46
ADORA2B P29275 14/20 0.46
ADORA1 P30542 14/20 0.46
PGK1 P00558 3/20 0.46
PGK2 P07205 3/20 0.46

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
SCHEMBL7452023 0.89 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1PGK1
SCHEMBL5088085 0.88 ADORA2A (0.56) ADORA3ADORA2AADORA2BADORA1PGK1
Formic Acid SCHEMBL7230638 0.86 ADORA2A (0.47) ADORA3ADORA2AADORA2BADORA1PGK1
SCHEMBL5094356 0.85 ADORA2A (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL7230938 0.84 ADORA2A (0.55) ADORA3ADORA2AADORA2BADORA1
SCHEMBL5093709 0.84 ADORA2A (0.47) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6835034 0.84 PGK1 (0.46) ADORA3ADORA2AADORA2BADORA1PGK1
SCHEMBL7206657 0.83 PGK1 (0.46) ADORA3ADORA2AADORA2BADORA1PGK1
SCHEMBL5086118 0.83 ADORA2A (0.58) ADORA3ADORA2AADORA2BADORA1PGK1
SCHEMBL7207959 0.83 PGK1 (0.44) ADORA3ADORA2AADORA2BADORA1PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4156035-B2 2008-09-24 JP claimed
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP claimed
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 US claimed
JP-2001506668-A 2001-05-22 JP claimed
EP-0948509-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-10-13 EP claimed
WO-1998028319-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-07-02 WO claimed
US-6528494-B2 Antiinflammatory agents COX BRIAN (GB) 2003-03-04 US disclosed
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP disclosed
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 US disclosed
US-20020086850-A1 2-(purin-9-yl)-tetrahydrofuran-3,4-diol derivatives COX BRIAN (GB) 2002-07-04 US disclosed
EP-0948509-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-10-13 EP disclosed
WO-1998028319-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-07-02 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-20020086850-A1 2-(purin-9-yl)-tetrahydrofuran-3,4-diol derivatives PURB, P2RX3, P2RY2 ADORA3 182/4885ADORA2A 202/4885ADORA2B 80/4885

“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.