SCHEMBL7229734

SCHEMBL7229734

CC(C)n1nnc([C@H]2O[C@@H](n3cnc4c(N(CO)CCc5ccccc5)nc(NCCc5cn(C)cn5)nc43)[C@H](O)[C@@H]2OC=O)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.39
PGK2 P07205 3/20 0.39
ADORA3 P0DMS8 7/20 0.39
ADORA2A P29274 7/20 0.38
ADORA2B P29275 5/20 0.38
ADORA1 P30542 4/20 0.38
SLC29A1 Q99808 1/20 0.36

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
SCHEMBL7222875 0.93 PGK1 (0.40) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7229790 0.92 PGK1 (0.40) PGK1PGK2ADORA3ADORA2AADORA2B
Formic Acid SCHEMBL7229726 0.92 ADORA3 (0.43) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7454684 0.91 ADORA3 (0.46) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7231332 0.89 PGK1 (0.49) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7223844 0.89 NT5E (0.44) PGK1PGK2ADORA3ADORA2AADORA2B
Formic Acid SCHEMBL7222865 0.85 PGK1 (0.44) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7231338 0.84 PGK1 (0.48) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7455516 0.84 PGK1 (0.46) PGK1PGK2ADORA3ADORA2AADORA2B
SCHEMBL7459716 0.84 ADORA2A (0.44) PGK1PGK2ADORA3ADORA2AADORA2B

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 PGK1 2745/4885PGK2 1782/4885ADORA3 182/4885

“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.