SCHEMBL7229729

SCHEMBL7229729

CC(C)n1nnc([C@H]2O[C@@H](n3cnc4c(N[C@H](CO)Cc5ccccc5)nc(NCCc5cn(C)cn5)nc43)[C@H](OC=O)[C@@H]2O)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.48
ADORA3 P0DMS8 9/20 0.48
ADORA2B P29275 8/20 0.48
ADORA1 P30542 6/20 0.48
PGK1 P00558 3/20 0.40
PGK2 P07205 3/20 0.40

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
SCHEMBL7222870 0.94 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7229785 0.92 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7231338 0.91 PGK1 (0.48) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7454689 0.91 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7459716 0.91 ADORA2A (0.44) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7223843 0.91 ADORA2A (0.44) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7230061 0.91 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7231332 0.87 PGK1 (0.49) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7223844 0.86 NT5E (0.44) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7230064 0.86 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1PGK1

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 4 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

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 182/4885ADORA2B 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.