Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 14/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.59 |
| ▸ | TSHR | P16473 | 9/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.59 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.56 |
| ▸ | LMNA | P02545 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.56 |
| ▸ | USP2 | O75604 | 4/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | GBA1 | P04062 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1084997 | 0.89 | CYP2D6 (0.74) | CYP1A2CYP2D6TSHRCYP2C19CLK4 | |
| SCHEMBL968028 | 0.77 | CYP2D6 (0.57) | CYP1A2CYP2D6TSHRCYP2C19CLK4 | |
| SCHEMBL937311 | 0.73 | CYP2D6 (0.76) | CYP1A2CYP2D6TSHRCYP2C19CLK4 | |
| SCHEMBL938193 | 0.72 | CYP1A2 (1.00) | CYP1A2CYP2D6TSHRCYP2C19CLK4 | |
| SCHEMBL963568 | 0.71 | CYP1A2 (0.60) | CYP1A2CYP2D6TSHRCYP2C19CLK4 | |
| SCHEMBL939163 | 0.68 | CYP2D6 (0.74) | CYP1A2CYP2D6TSHRCYP2C19CLK4 | |
| SCHEMBL937501 | 0.67 | CYP2D6 (0.70) | CYP1A2CYP2D6TSHRCYP2C19CLK4 | |
| SCHEMBL1084245 | 0.67 | CYP2D6 (0.70) | CYP1A2CYP2D6TSHRCYP2C19CLK4 | |
| SCHEMBL1083911 | 0.67 | CYP2D6 (0.70) | CYP1A2CYP2D6TSHRCYP2C19CLK4 | |
| SCHEMBL1083829 | 0.67 | CYP2D6 (0.70) | CYP1A2CYP2D6TSHRCYP2C19CLK4 |
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 8 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-8153642-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-10 | — | — | US | disclosed |
| US-20110021495-A1 | QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-27 | — | — | US | disclosed |
| US-20100160316-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-24 | — | — | US | disclosed |
| US-7713983-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-11 | — | — | US | disclosed |
| US-7678802-B2 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-16 | — | — | US | disclosed |
| EP-1608632-B1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2009-12-30 | — | — | EP | disclosed |
| US-20060217377-A1 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2006-09-28 | — | — | 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 (3 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-20100160316-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | KCNN3, KCNN2, CACNA1I | CYP1A2 2515/4885CYP2D6 2468/4885TSHR 3915/4885 |
| US-20110021495-A1 | QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS | KCNN3, CACNA1I, CACNA1B | CYP1A2 1509/4885CYP2D6 1496/4885TSHR 4227/4885 |
| US-20060217377-A1 | Quinazolines useful as modulators of ion channels | KCNN3, KCNN2, CACNA1I | CYP1A2 2515/4885CYP2D6 2468/4885TSHR 3915/4885 |
“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.