Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.67 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.59 |
| ▸ | PDE2A | O00408 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.44 |
| ▸ | CCNC | P24863 | 1/20 | 0.43 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1090102 | 0.95 | CXCR4 (0.74) | CXCR4ROCK2PDE2AMAPK14HRH4 | |
| SCHEMBL1090932 | 0.93 | CXCR4 (0.63) | CXCR4ROCK2PDE2AMAPK14HRH4 | |
| SCHEMBL1089024 | 0.90 | CXCR4 (0.65) | CXCR4ROCK2MAPK14HRH4CCNC | |
| SCHEMBL1088644 | 0.86 | CXCR4 (0.71) | CXCR4ROCK2PDE2AHRH4ROCK1 | |
| SCHEMBL1088975 | 0.86 | CXCR4 (0.71) | CXCR4ROCK2HRH4ROCK1EHMT2 | |
| SCHEMBL1089706 | 0.86 | CXCR4 (0.90) | CXCR4ROCK2HRH4ROCK1EHMT2 | |
| SCHEMBL1088952 | 0.86 | CXCR4 (0.90) | CXCR4ROCK2HRH4ROCK1EHMT2 | |
| SCHEMBL1088216 | 0.86 | CXCR4 (0.90) | CXCR4ROCK2HRH4ROCK1EHMT2 | |
| SCHEMBL1088764 | 0.84 | CXCR4 (0.90) | CXCR4ROCK2HRH4ROCK1EHMT2 | |
| SCHEMBL1088538 | 0.84 | CXCR4 (0.90) | CXCR4ROCK2HRH4ROCK1EHMT2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120156219-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-06-21 | — | — | US | disclosed |
| US-8153625-B2 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |
| US-20100221259-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-09-02 | — | — | US | disclosed |
| US-7759336-B2 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-07-20 | — | — | US | disclosed |
| US-20070167459-A1 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-07-19 | — | — | US | disclosed |
| EP-1571146-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-09-07 | — | — | EP | 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-20100221259-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885ROCK2 4071/4885PDE2A 1568/4885 |
| US-20070167459-A1 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885ROCK2 4071/4885PDE2A 1568/4885 |
| US-20120156219-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885ROCK2 4071/4885PDE2A 1568/4885 |
“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.