SCHEMBL5094374

SCHEMBL5094374

CCC(CC)Nc1nc(NCCN2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](c2nnn(C(C)C)n2)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.54
ADORA3 P0DMS8 17/20 0.46
ADORA1 P30542 14/20 0.46
ADORA2B P29275 13/20 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
SCHEMBL5094383 0.94 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7230938 0.92 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5094356 0.92 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7452511 0.89 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5088073 0.88 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5093709 0.86 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5093527 0.85 ADORA3 (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7099042 0.84 ADORA2A (0.54) ADORA2AADORA3ADORA1
SCHEMBL5089290 0.83 ADORA2A (0.68) ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7230059 0.83 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B

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 10 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

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 ADORA2A 202/4885ADORA3 182/4885ADORA1 135/4885

“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.