Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4891510 | 1.00 | HDAC1 (0.50) | HDAC1HDAC6ADORA2APDPK1CXCR4 | |
| SCHEMBL3081802 | 1.00 | HDAC1 (0.50) | HDAC1HDAC6ADORA2APDPK1CXCR4 | |
| Hydrochloric Acid SCHEMBL18765360 | 0.98 | HDAC1 (0.49) | HDAC1HDAC6ADORA2APDPK1CXCR4 | |
| Hydrochloric Acid SCHEMBL4890977 | 0.98 | HDAC1 (0.49) | HDAC1HDAC6ADORA2APDPK1CXCR4 | |
| SCHEMBL5426156 | 0.95 | HDAC1 (0.49) | HDAC1HDAC6ADORA2APDPK1CXCR4 | |
| Oxalic Acid SCHEMBL3743488 | 0.91 | HDAC1 (0.53) | HDAC1HDAC6ADORA2ACXCR4SCN1A | |
| SCHEMBL5425623 | 0.90 | PDPK1 (0.53) | HDAC1HDAC6PDPK1P2RX7MAPK1 | |
| Hydrochloric Acid SCHEMBL18764973 | 0.88 | PDPK1 (0.51) | HDAC1HDAC6PDPK1P2RX7MAPK1 | |
| SCHEMBL18157989 | 0.86 | HDAC1 (0.52) | HDAC1HDAC6ADORA2ACXCR4SCN1A | |
| SCHEMBL4113740 | 0.84 | HDAC1 (0.48) | HDAC1HDAC6ADORA2ACXCR4SCN1A |
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 87 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 |
| WO-2017106291-A1 | CXCR4 RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-06-22 | — | — | WO | claimed |
| CN-103570688-B | 2,5-diaminomethyl pyrazine compounds, its pharmaceutical composition, preparation method and purposes | 中国科学院上海药物研究所 | 2016-06-08 | — | — | CN | claimed |
| CN-103570688-A | 2,5-diaminomethylpyrazine compounds, drug compositions, preparation method and use thereof | SHANGHAI INST MATERIA MEDICA | 2014-02-12 | — | — | CN | claimed |
| EP-1778231-A4 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2009-06-03 | — | — | EP | claimed |
| EP-1778231-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-02 | — | — | EP | claimed |
| WO-2006020415-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-02-23 | — | — | WO | claimed |
| US-12582645-B2 | Chemokine CXCR4 receptor modulators and uses related thereto | EMORY UNIVERSITY (US) | 2026-03-24 | — | — | US | disclosed |
| EP-4163277-B1 | NOVEL PYRAZOLE DERIVATIVES | APTABIO THERAPEUTICS INC (KR) | 2026-01-14 | — | — | EP | disclosed |
| EP-4501920-A1 | NOVEL PYRAZOLE DERIVATIVES | Aptabio Therapeutics Inc. (KR) | 2025-02-05 | — | — | EP | disclosed |
| CN-119156379-A | Novel pyrazole derivatives | 阿普塔生物治疗公司 | 2024-12-17 | — | — | CN | disclosed |
| US-20240316034-A1 | Chemokine CXCR4 Receptor Modulators and Uses Related Thereto | UNIV EMORY (US) | 2024-09-26 | — | — | US | disclosed |
| US-20240308983-A1 | NOVEL PYRAZOLE DERIVATIVES | APTABIO THERAPEUTICS INC (KR) | 2024-09-19 | — | — | US | disclosed |
| EP-1799671-A2 | CHEMICAL COMPOUNDS | SmithKline Beecham Corporation (US) | 2007-06-27 | — | — | EP | disclosed |
| EP-1789045-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-30 | — | — | EP | disclosed |
| EP-1778231-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2007027999-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-03-08 | — | — | WO | disclosed |
| WO-2006026703-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-09 | — | — | WO | disclosed |
| WO-2006023400-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-02 | — | — | WO | disclosed |
| WO-2006020415-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-02-23 | — | — | 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 (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-20240316034-A1 | Chemokine CXCR4 Receptor Modulators and Uses Related Thereto | CXCR4, CXCL12, CXCR1 | HDAC1 1180/4885HDAC6 1205/4885ADORA2A 71/4885 |
| US-12582645-B2 | Chemokine CXCR4 receptor modulators and uses related thereto | CXCR4, CXCR2, CXCR1 | HDAC1 2048/4885HDAC6 2673/4885ADORA2A 48/4885 |
| US-20240308983-A1 | NOVEL PYRAZOLE DERIVATIVES | CYP4B1, CYP3A43, CYP11B1 | HDAC1 1359/4885HDAC6 209/4885ADORA2A 2967/4885 |
“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.