Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 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 | |
|---|---|---|---|---|
| SCHEMBL4531641 | 0.91 | DHFR (0.46) | DHFRCYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL4528751 | 0.90 | DHFR (0.39) | DHFRCYP2D6DRD1HTR2AADORA1 | |
| Trifluoroacetic Acid SCHEMBL4511571 | 0.83 | NOS1 (0.36) | DHFRCYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL4527908 | 0.79 | PTPN1 (0.50) | DHFRCYP2D6APPPTPN1TGFBR1 | |
| SCHEMBL4519079 | 0.77 | NLRP3 (0.38) | DHFRCYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL4511216 | 0.77 | NLRP3 (0.45) | DHFRKCNH2NLRP3APPHRH4 | |
| SCHEMBL4524961 | 0.76 | PTPN1 (0.52) | DHFRNLRP3PTPN1 | |
| SCHEMBL13888550 | 0.76 | DHFR (0.74) | DHFRCYP2D6NLRP3PTPN1 | |
| SCHEMBL4526578 | 0.75 | KCNH2 (0.41) | DHFRCYP2D6DRD1HTR2AADORA1 | |
| SCHEMBL4533676 | 0.75 | DHFR (0.53) | DHFRCYP2D6NLRP3SYKAPP |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090105477-A1 | Quinazoline Protein Tyrosine Phosphatase Inhibitors | BERTHEL STEVEN JOSEPH | 2009-04-23 | — | — | US | claimed |
| EP-1812409-A1 | AMINOQUINAZOLINES COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2007-08-01 | — | — | EP | claimed |
| US-20060211715-A1 | Quinazoline protein tyrosine phosphatase inhibitors | BERTHEL STEVEN J | 2006-09-21 | — | — | US | claimed |
| WO-2006050843-A1 | AMINOQUINAZOLINES COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-18 | — | — | WO | claimed |
| US-20090105477-A1 | Quinazoline Protein Tyrosine Phosphatase Inhibitors | BERTHEL STEVEN JOSEPH | 2009-04-23 | — | — | US | disclosed |
| US-20090105477-A1 | Quinazoline Protein Tyrosine Phosphatase Inhibitors | BERTHEL STEVEN JOSEPH | 2009-04-23 | — | — | US | disclosed |
| US-20090105477-A1 | Quinazoline Protein Tyrosine Phosphatase Inhibitors | BERTHEL STEVEN JOSEPH | 2009-04-23 | — | — | US | disclosed |
| EP-1812409-A1 | AMINOQUINAZOLINES COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2007-08-01 | — | — | EP | disclosed |
| US-20060211715-A1 | Quinazoline protein tyrosine phosphatase inhibitors | BERTHEL STEVEN J | 2006-09-21 | — | — | US | disclosed |
| WO-2006050843-A1 | AMINOQUINAZOLINES COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-18 | — | — | 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-20090105477-A1 | Quinazoline Protein Tyrosine Phosphatase Inhibitors | PTPN5, PTPN1, PTPN7 | DHFR 2071/4885CYP2D6 1228/4885DRD1 4516/4885 |
| US-20060211715-A1 | Quinazoline protein tyrosine phosphatase inhibitors | PTPN5, PTPN1, PTPN7 | DHFR 2071/4885CYP2D6 1228/4885DRD1 4516/4885 |
“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.