Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.54 |
| ▸ | KDM6B | O15054 | 1/20 | 0.46 |
| ▸ | KDM5C | P41229 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.46 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CCNK | O75909 | 2/20 | 0.43 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 2/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | OGA | O60502 | 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 | |
|---|---|---|---|---|
| SCHEMBL1090766 | 0.99 | CXCR4 (0.55) | CXCR4KDM6BKDM5CKDM4CKDM2A | |
| SCHEMBL1090337 | 0.96 | CXCR4 (0.57) | CXCR4KDM6BKDM5CKDM4CKDM2A | |
| SCHEMBL1090514 | 0.92 | CXCR4 (0.56) | CXCR4KDM5CKDM4CKDM2AALDH1A1 | |
| SCHEMBL1090827 | 0.92 | CXCR4 (0.56) | CXCR4KDM6BKDM5CKDM4CKDM2A | |
| SCHEMBL1090872 | 0.92 | CXCR4 (0.56) | CXCR4KDM5CKDM4CKDM2AHPGD | |
| SCHEMBL1090902 | 0.91 | CXCR4 (0.57) | CXCR4KDM6BKDM5CKDM4CKDM2A | |
| SCHEMBL1091253 | 0.88 | CCNK (0.49) | CXCR4KDM6BKDM5CKDM4CKDM2A | |
| SCHEMBL1091017 | 0.88 | CXCR4 (0.52) | CXCR4CCNKCDK12HRH4IDH1 | |
| SCHEMBL1091030 | 0.88 | CXCR4 (0.46) | CXCR4KDM4EMAPK1ALDH1A1CCNK | |
| SCHEMBL1091176 | 0.88 | CXCR4 (0.46) | CXCR4KDM4EMAPK1ALDH1A1CCNK |
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 1/4885KDM6B 2597/4885KDM5C 3193/4885 |
| US-20070167459-A1 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885KDM6B 2597/4885KDM5C 3193/4885 |
| US-20120156219-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885KDM6B 2597/4885KDM5C 3193/4885 |
“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.