Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 9/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17436570 | 0.82 | NOTUM (0.44) | NOTUMCYP11B2 | |
| SCHEMBL2123320 | 0.81 | PDE4B (0.34) | OPRK1 | |
| SCHEMBL17436005 | 0.79 | NOTUM (0.42) | NOTUMALDH1A1KMT2A | |
| SCHEMBL2123391 | 0.75 | PIK3CA (0.41) | — | |
| SCHEMBL17446893 | 0.75 | NOTUM (0.39) | NOTUM | |
| SCHEMBL17436240 | 0.74 | PDE4B (0.56) | ALDH1A1 | |
| SCHEMBL13733401 | 0.74 | XIAP (0.36) | NOTUMALDH1A1 | |
| SCHEMBL17446892 | 0.74 | NOTUM (0.59) | NOTUMALDH1A1HSD17B3CYP11B2 | |
| SCHEMBL17436116 | 0.74 | NOTUM (0.63) | NOTUMHSD17B3 | |
| SCHEMBL17436040 | 0.69 | NOTUM (0.65) | NOTUMMEN1ALDH1A1KMT2AHSD17B3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3527561-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2019-08-21 | — | — | EP | disclosed |
| EP-3527561-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2019-08-21 | — | — | EP | disclosed |
| US-10189854-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2019-01-29 | — | — | US | disclosed |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-03-09 | — | — | US | disclosed |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-03-09 | — | — | US | disclosed |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-03-09 | — | — | US | disclosed |
| US-9540349-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-01-10 | — | — | US | disclosed |
| US-9540349-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-01-10 | — | — | US | disclosed |
| US-9540349-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-01-10 | — | — | US | disclosed |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| WO-2016008593-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2016-01-21 | — | — | 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-10189854-B2 | Substituted pyrimidine compounds | TYMP, PDE4A, DPYD | NOTUM 1482/4885MEN1 3647/4885ALDH1A1 353/4885 |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | PDE4A, PDE4B, TYMP | NOTUM 1560/4885MEN1 3807/4885ALDH1A1 443/4885 |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | PDE4A, PDE4B, TYMP | NOTUM 1560/4885MEN1 3807/4885ALDH1A1 443/4885 |
“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.