Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 5/20 | 0.56 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 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 | |
|---|---|---|---|---|
| SCHEMBL1624509 | 1.00 | CHEK2 (0.56) | CHEK2SMAD3MEN1KMT2APIK3CA | |
| Hydrochloric Acid SCHEMBL1622330 | 0.99 | CHEK2 (0.55) | CHEK2SMAD3MEN1KMT2APIK3CA | |
| SCHEMBL1623230 | 0.86 | CHEK2 (0.56) | CHEK2SMAD3MEN1KMT2APIK3CA | |
| SCHEMBL1624276 | 0.86 | CHEK2 (0.49) | CHEK2SMAD3MEN1KMT2APIK3CA | |
| SCHEMBL6112608 | 0.86 | CHEK2 (0.49) | CHEK2SMAD3MEN1KMT2APIK3CA | |
| SCHEMBL1624355 | 0.86 | CHEK2 (0.49) | CHEK2SMAD3MEN1KMT2APIK3CA | |
| Hydrochloric Acid SCHEMBL1622833 | 0.86 | CHEK2 (0.56) | CHEK2SMAD3MEN1KMT2APIK3CA | |
| SCHEMBL4011646 | 0.85 | CHEK2 (0.68) | CHEK2SMAD3MEN1KMT2ATSHR | |
| SCHEMBL1084251 | 0.82 | CHEK2 (0.67) | CHEK2SMAD3MEN1KMT2APIK3CA | |
| SCHEMBL1623676 | 0.82 | CHEK2 (0.51) | CHEK2SMAD3MEN1KMT2APIK3CA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8283354-B2 | Voltage gated sodium and calcium channel inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-09 | — | — | US | disclosed |
| US-7928107-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-19 | — | — | US | disclosed |
| US-20060173018-A1 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2006-08-03 | — | — | 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-20060173018-A1 | Quinazolines useful as modulators of ion channels | KCNQ1, KCNQ2, KCNN3 | CHEK2 2935/4885SMAD3 4194/4885MEN1 2548/4885 |
“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.