Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | CCNK | O75909 | 2/20 | 0.44 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.44 |
| ▸ | ACACB | O00763 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1090314 | 0.98 | CXCR4 (0.47) | HRH4CXCR4CCNKCDK12ACACB | |
| SCHEMBL1090786 | 0.96 | CXCR4 (0.50) | HRH4CXCR4CCNKCDK12ACACB | |
| SCHEMBL1088828 | 0.91 | CDK12 (0.46) | HRH4CXCR4CCNKCDK12ACACB | |
| SCHEMBL1089975 | 0.90 | CDK12 (0.47) | HRH4CXCR4CCNKCDK12ACACB | |
| SCHEMBL1090194 | 0.90 | HRH4 (0.50) | HRH4CXCR4CCNKCDK12ACACB | |
| SCHEMBL1089306 | 0.89 | ACHE (0.55) | HRH4CXCR4ACHECYP2D6CYP2C19 | |
| SCHEMBL1091083 | 0.89 | HRH4 (0.48) | HRH4CXCR4CCNKCDK12ACACB | |
| SCHEMBL1090918 | 0.88 | CCNK (0.51) | HRH4CXCR4CCNKCDK12ACACB | |
| SCHEMBL1091309 | 0.88 | HRH4 (0.47) | HRH4CXCR4CCNKCDK12ACACB | |
| SCHEMBL1091122 | 0.88 | HRH4 (0.48) | HRH4CXCR4CCNKCDK12ACACB |
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 | HRH4 130/4885CXCR4 1/4885CCNK 793/4885 |
| US-20070167459-A1 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | CXCR4, CXCL12, CXCR3 | HRH4 130/4885CXCR4 1/4885CCNK 793/4885 |
| US-20120156219-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | CXCR4, CXCL12, CXCR3 | HRH4 130/4885CXCR4 1/4885CCNK 793/4885 |
“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.