Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMAD3 | P84022 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12721527 | 0.90 | SMAD3 (0.73) | SMAD3MAPTTSHRMEN1KMT2A | |
| SCHEMBL1084136 | 0.86 | PIK3CA (0.60) | SMAD3CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL14406118 | 0.86 | SMAD3 (0.58) | SMAD3CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL1084221 | 0.86 | SMAD3 (0.58) | SMAD3CYP1A2CYP3A4MAPTTSHR | |
| SCHEMBL1083844 | 0.86 | SMAD3 (0.78) | SMAD3CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL1084207 | 0.85 | SMAD3 (0.54) | SMAD3MAPTTSHRMEN1KMT2A | |
| SCHEMBL1084389 | 0.84 | SMAD3 (0.56) | SMAD3CYP1A2CYP3A4MAPTTSHR | |
| SCHEMBL1621893 | 0.84 | SMAD3 (0.56) | SMAD3CYP1A2CYP3A4MAPTTSHR | |
| SCHEMBL1084606 | 0.84 | SMAD3 (0.56) | SMAD3CYP1A2CYP3A4MAPTTSHR | |
| SCHEMBL5506348 | 0.84 | SMAD3 (0.56) | SMAD3CYP1A2CYP3A4CYP2D6MAPT |
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 17 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 |
| EP-1784393-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2007-05-16 | — | — | EP | disclosed |
| US-20060173018-A1 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2006-08-03 | — | — | US | disclosed |
| WO-2006028904-A9 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2006028904-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-03-16 | — | — | 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 (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 4194/4885CYP1A2 2466/4885CYP3A4 2278/4885 |
| US-20060173018-A1 | Quinazolines useful as modulators of ion channels | KCNQ1, KCNQ2, KCNN3 | SMAD3 4194/4885CYP1A2 2466/4885CYP3A4 2278/4885 |
“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.