SCHEMBL7229569

SCHEMBL7229569

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CCCC5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2OC=O)n1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 18/20 0.52
ADORA1 P30542 17/20 0.52
ADORA2A P29274 17/20 0.52
ADORA2B P29275 14/20 0.52

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
SCHEMBL7223581 0.93 ADORA3 (0.46) ADORA3ADORA1ADORA2AADORA2B
Formic Acid SCHEMBL7229560 0.92 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5086124 0.91 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7231584 0.90 ADORA3 (0.53) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7231239 0.85 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2B
Formic Acid SCHEMBL7223577 0.84 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7224435 0.83 ADORA2A (0.44) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7459232 0.83 ADORA3 (0.52) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL7224830 0.82 ADORA3 (0.44) ADORA3ADORA1ADORA2AADORA2B
Formic Acid SCHEMBL7231574 0.81 ADORA3 (0.60) ADORA3ADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 182/4885ADORA1 135/4885ADORA2A 202/4885

“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.