Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.60 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.57 |
| ▸ | PDE5A | O76074 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.55 |
| ▸ | USP2 | O75604 | 4/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | ACP1 | P24666 | 1/20 | 0.53 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.51 |
| ▸ | GBA1 | P04062 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1083790 | 0.97 | GSK3B (0.56) | GSK3BABCG2PDE5ACYP1A2CYP3A4 | |
| SCHEMBL13300322 | 0.93 | GSK3B (0.53) | GSK3BABCG2PDE5ACYP1A2CYP3A4 | |
| SCHEMBL10284426 | 0.93 | MEN1 (0.57) | GSK3BABCG2PDE5ACYP1A2CYP3A4 | |
| SCHEMBL3110693 | 0.93 | CYP1A2 (0.66) | GSK3BABCG2CYP1A2CYP3A4CLK4 | |
| SCHEMBL13300127 | 0.92 | GBA1 (0.63) | GSK3BABCG2PDE5ACYP1A2CYP3A4 | |
| SCHEMBL1083896 | 0.91 | GSK3B (0.54) | GSK3BABCG2PDE5ACYP1A2CYP3A4 | |
| SCHEMBL13300286 | 0.91 | GSK3B (0.52) | GSK3BABCG2PDE5ACYP1A2CYP3A4 | |
| SCHEMBL13300270 | 0.90 | CYP1A2 (0.55) | GSK3BABCG2PDE5ACYP1A2CYP3A4 | |
| SCHEMBL13356955 | 0.90 | GSK3B (0.53) | GSK3BABCG2PDE5ACYP1A2CYP3A4 | |
| SCHEMBL3251697 | 0.90 | GSK3B (0.51) | GSK3BABCG2PDE5ACYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8343980-B2 | Quinazoles useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-01 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| EP-2198867-A1 | Pyrimidine-based compounds useful as GSK-3 inhibitors | Vertex Pharmaceuticals, Inc. (US) | 2010-06-23 | — | — | EP | disclosed |
| EP-2198867-A1 | Pyrimidine-based compounds useful as GSK-3 inhibitors | Vertex Pharmaceuticals, Inc. (US) | 2010-06-23 | — | — | EP | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| EP-1474147-B1 | PYRIMIDINE-BASED COMPOUNDS USEFUL AS GSK-3 INHIBITORS | VERTEX PHARMA (US) | 2010-05-05 | — | — | EP | disclosed |
| EP-1474147-B1 | PYRIMIDINE-BASED COMPOUNDS USEFUL AS GSK-3 INHIBITORS | VERTEX PHARMA (US) | 2010-05-05 | — | — | EP | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |
| US-20030199526-A1 | Pyrimidine-based compounds useful as GSK-3 inhibitors | VERTEX PHARMACEUTICALS, INCORPORATED | 2003-10-23 | — | — | US | 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-20030199526-A1 | Pyrimidine-based compounds useful as GSK-3 inhibitors | GSK3B, GSK3A, GSKIP | GSK3B 1/4885ABCG2 847/4885PDE5A 1304/4885 |
“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.