Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | CCR1 | P32246 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5053432 | 1.00 | IRAK4 (0.44) | IRAK4ACHECXCR4HRH2HRH3 | |
| SCHEMBL5054743 | 1.00 | IRAK4 (0.44) | IRAK4ACHECXCR4HRH2HRH3 | |
| Hydrochloric Acid SCHEMBL3619701 | 0.98 | IRAK4 (0.43) | IRAK4ACHECXCR4HRH2HRH3 | |
| Oxalic Acid SCHEMBL3858250 | 0.91 | IRAK4 (0.40) | IRAK4ACHECXCR4KDM4EALDH1A1 | |
| SCHEMBL30002078 | 0.79 | IRAK4 (0.37) | IRAK4ACHE | |
| SCHEMBL2303573 | 0.79 | IRAK4 (0.37) | IRAK4ACHE | |
| SCHEMBL14884981 | 0.79 | ACHE (0.38) | IRAK4ACHECXCR4KDM4EALDH1A1 | |
| SCHEMBL11520415 | 0.79 | CXCR4 (0.32) | IRAK4CXCR4KDM4EALDH1A1LMNA | |
| SCHEMBL5110817 | 0.79 | CXCR4 (0.32) | IRAK4CXCR4KDM4EALDH1A1LMNA | |
| SCHEMBL5111399 | 0.79 | ACHE (0.38) | IRAK4ACHECXCR4KDM4EALDH1A1 |
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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3390406-A1 | CXCR4 RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2018-10-24 | — | — | EP | claimed |
| CN-108602829-A | Cxcr4 receptor antagonists | 百时美施贵宝公司 | 2018-09-28 | — | — | CN | claimed |
| WO-2017106291-A1 | CXCR4 RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-06-22 | — | — | WO | claimed |
| EP-1778231-A4 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2009-06-03 | — | — | EP | claimed |
| EP-1784185-A4 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2009-06-03 | — | — | EP | claimed |
| EP-1984375-A2 | CHEMICAL COMPOUNDS | Smithkline Beecham Corporation (US) | 2008-10-29 | — | — | EP | claimed |
| WO-2007087548-A9 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2007-09-27 | — | — | WO | claimed |
| WO-2007087548-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-08-02 | — | — | WO | claimed |
| EP-1789045-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-30 | — | — | EP | claimed |
| EP-1784185-A2 | CHEMICAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2007-05-16 | — | — | EP | claimed |
| US-20070060757-A1 | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | ANORMED INC. (CA) | 2007-03-15 | — | — | US | claimed |
| WO-2006028896-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-16 | — | — | WO | claimed |
| WO-2006023400-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-02 | — | — | WO | claimed |
| WO-2006020415-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-02-23 | — | — | WO | claimed |
| CN-1608052-A | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | ANORMED INC (CA) | 2005-04-20 | — | — | CN | claimed |
| US-20050080267-A1 | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | ANORMED, INC. (CA) | 2005-04-14 | — | — | US | claimed |
| EP-1487795-A4 | SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS | ANORMED INC (CA) | 2005-02-09 | — | — | EP | claimed |
| EP-1487795-A2 | SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS | ANORMED INC. (CA) | 2004-12-22 | — | — | EP | claimed |
| US-20030114679-A1 | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | ANORMED CORPORATION (CA) | 2003-06-19 | — | — | US | claimed |
| WO-2003022785-A2 | SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS | ANORMED INC. (CA) | 2003-03-20 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030114679-A1 | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | CBR1, POR, CBR3 | IRAK4 4736/4885ACHE 847/4885CXCR4 3921/4885 |
| US-20070060757-A1 | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | CBR1, POR, CBR3 | IRAK4 4736/4885ACHE 847/4885CXCR4 3921/4885 |
| US-20050080267-A1 | Synthesis of enantiomerically pure amino-substituted fused bicyclic rings | CBR1, POR, CBR3 | IRAK4 4736/4885ACHE 847/4885CXCR4 3921/4885 |
“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.