Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.66 |
| ▸ | HRH4 | Q9H3N8 | 14/20 | 0.54 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.52 |
| ▸ | CDK2 | P24941 | 3/20 | 0.52 |
| ▸ | CDK1 | P06493 | 2/20 | 0.52 |
| ▸ | CDK4 | P11802 | 2/20 | 0.52 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.52 |
| ▸ | CCND3 | P30281 | 2/20 | 0.52 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.52 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CCNK | O75909 | 1/20 | 0.44 |
| ▸ | CDK7 | P50613 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | CCNH | P51946 | 1/20 | 0.44 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.44 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL1089712 | 0.95 | CXCR4 (0.59) | CXCR4HRH4CCNE1CDK2CDK1 | |
| SCHEMBL1090306 | 0.88 | CXCR4 (0.70) | CXCR4HRH4CCNKCDK12HRH3 | |
| SCHEMBL1089388 | 0.86 | CXCR4 (0.67) | CXCR4HRH4CCNKCDK12HRH3 | |
| SCHEMBL1089560 | 0.86 | CXCR4 (0.67) | CXCR4HRH4 | |
| SCHEMBL1090048 | 0.86 | CXCR4 (0.70) | CXCR4HRH4CCNKCDK12HRH3 | |
| SCHEMBL1088754 | 0.85 | CXCR4 (0.66) | CXCR4HRH4CCNKCDK12HRH3 | |
| SCHEMBL1088902 | 0.85 | CXCR4 (0.66) | CXCR4HRH4CCNKCDK12HRH3 | |
| SCHEMBL1089798 | 0.84 | CXCR4 (0.65) | CXCR4HRH4CDK2CCNKCDK12 | |
| SCHEMBL1090005 | 0.84 | CXCR4 (0.65) | CXCR4HRH4CCNKCDK12HRH3 | |
| SCHEMBL1088816 | 0.84 | CXCR4 (0.74) | CXCR4HRH4HRH3 |
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 1/4885HRH4 130/4885CCNE1 802/4885 |
| US-20070167459-A1 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885HRH4 130/4885CCNE1 802/4885 |
| US-20120156219-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885HRH4 130/4885CCNE1 802/4885 |
“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.