Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL924633 | 0.83 | PDK1 (0.49) | PDK1ALDH1A1KMT2AMEN1TP53 | |
| SCHEMBL3516619 | 0.81 | PDK1 (0.66) | PDK1SMN1; SMN2 | |
| SCHEMBL4137922 | 0.81 | PDK1 (0.66) | PDK1SMN1; SMN2 | |
| SCHEMBL27669802 | 0.81 | PDK1 (0.66) | PDK1SMN1; SMN2 | |
| SCHEMBL18546470 | 0.78 | PDK1 (0.53) | PDK1ALDH1A1KMT2AMEN1TP53 | |
| SCHEMBL29580264 | 0.78 | PDK1 (0.53) | PDK1ALDH1A1KMT2AMEN1TP53 | |
| SCHEMBL1119076 | 0.78 | PDK1 (0.62) | PDK1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL27595538 | 0.78 | PDK1 (0.62) | PDK1 | |
| SCHEMBL27172500 | 0.78 | PDK1 (0.62) | PDK1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL13829284 | 0.76 | PDK1 (0.55) | PDK1ALDH1A1HSD11B1HPGDSMN1; SMN2 |
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-20080275064-A1 | Substituted Pyrimidines as Adenosine Receptor Antagonists | ALMIRALL, S.A. (ES) | 2008-11-06 | — | — | US | claimed |
| EP-1888565-A2 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-02-20 | — | — | EP | claimed |
| WO-2006110884-A2 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-10-19 | — | — | WO | claimed |
| US-20080275064-A1 | Substituted Pyrimidines as Adenosine Receptor Antagonists | ALMIRALL, S.A. (ES) | 2008-11-06 | — | — | US | disclosed |
| EP-1888565-A2 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006110884-A2 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-10-19 | — | — | 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 (1 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-20080275064-A1 | Substituted Pyrimidines as Adenosine Receptor Antagonists | ADORA2A, ADORA3, ADORA1 | PDK1 1410/4885ALDH1A1 433/4885KMT2A 3931/4885 |
“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.