Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMAD3 | P84022 | 1/20 | 0.52 |
| ▸ | CHEK2 | O96017 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1623871 | 1.00 | SMAD3 (0.52) | SMAD3CHEK2MAPTKMT2AMEN1 | |
| SCHEMBL1623865 | 1.00 | SMAD3 (0.52) | SMAD3CHEK2MAPTKMT2AMEN1 | |
| SCHEMBL1621902 | 0.94 | CHEK2 (0.55) | SMAD3CHEK2MAPTKMT2AMEN1 | |
| SCHEMBL1621898 | 0.94 | CHEK2 (0.55) | SMAD3CHEK2MAPTKMT2AMEN1 | |
| SCHEMBL1624407 | 0.94 | CHEK2 (0.55) | SMAD3CHEK2MAPTKMT2AMEN1 | |
| SCHEMBL1084741 | 0.90 | SMAD3 (0.51) | SMAD3CHEK2MAPTKMT2AMEN1 | |
| SCHEMBL1623958 | 0.87 | SMAD3 (0.55) | SMAD3CHEK2MAPTKMT2AMEN1 | |
| SCHEMBL1623718 | 0.87 | SMAD3 (0.55) | SMAD3CHEK2MAPTKMT2AMEN1 | |
| SCHEMBL1623723 | 0.87 | SMAD3 (0.55) | SMAD3CHEK2MAPTKMT2AMEN1 | |
| SCHEMBL1621754 | 0.87 | SMAD3 (0.53) | SMAD3CHEK2MAPTKMT2AMEN1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101068794-B | Quinazolines useful as modulators of ion channels | VERTEX PHARMA | 2012-12-19 | — | — | CN | disclosed |
| US-8283354-B2 | Voltage gated sodium and calcium channel inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-09 | — | — | US | disclosed |
| US-8283354-B2 | Voltage gated sodium and calcium channel inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-09 | — | — | US | disclosed |
| 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-7928107-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-19 | — | — | US | disclosed |
| US-7928107-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-19 | — | — | US | disclosed |
| US-20090312342-A1 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2009-12-17 | — | — | US | disclosed |
| US-20090312342-A1 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2009-12-17 | — | — | US | disclosed |
| US-20090312342-A1 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2009-12-17 | — | — | US | disclosed |
| EP-1784393-B1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2009-07-01 | — | — | EP | disclosed |
| EP-1784393-B1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2009-07-01 | — | — | EP | disclosed |
| CN-101068794-A | Quinazolines useful as modulators of ion channels | VERTEX PHARMA (US) | 2007-11-07 | — | — | CN | 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 (2 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-20090312342-A1 | Quinazolines useful as modulators of ion channels | KCNQ1, KCNQ2, KCNN3 | SMAD3 4194/4885CHEK2 2935/4885MAPT 2508/4885 |
| US-20060173018-A1 | Quinazolines useful as modulators of ion channels | KCNQ1, KCNQ2, KCNN3 | SMAD3 4194/4885CHEK2 2935/4885MAPT 2508/4885 |
“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.