Sugi Predict

Sugi Predict / Compounds / SCHEMBL5138159

SCHEMBL5138159

SCHEMBL5138159

Cn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5cccc(I)c5)nc(NCCN5CCCCC5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.58
▸ ADORA2A P29274 10/20 0.58
▸ ADORA1 P30542 9/20 0.58
▸ ADORA2B P29275 6/20 0.58
▸ HTR2C P28335 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ PPARD Q03181 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL5138486 0.99 ADORA3 (0.59) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL5086165 0.87 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7465380 0.86 ADORA3 (0.58) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL6839831 0.85 ADORA3 (0.54) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL8522268 0.84 CDK1 (0.65) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL7232107 0.84 CDK1 (0.65) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL7232100 0.84 CDK1 (0.65) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL7222636 0.84 ADORA2A (0.74) ADORA3ADORA2AADORA1ADORA2B
Formic Acid SCHEMBL7221833 0.84 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2BHTR2C
SCHEMBL7232067 0.83 ADORA2A (0.55) ADORA3ADORA2AADORA1ADORA2B

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 202/4885ADORA1 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.