Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | GHSR | Q92847 | 1/20 | 0.45 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.44 |
| ▸ | DHFR | P00374 | 3/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1871638 | 0.91 | ADORA2A (0.53) | BACE1ADORA2AHSP90AB1SLC9A3ADORA1 | |
| SCHEMBL1879985 | 0.91 | BACE1 (0.55) | BACE1ADORA2ACYP3A4HSP90AB1SLC9A3 | |
| SCHEMBL1877697 | 0.87 | BACE1 (0.52) | BACE1ADORA2AHSP90AB1SLC9A3DHFR | |
| SCHEMBL1876600 | 0.87 | HSP90AB1 (0.62) | BACE1ADORA2AHSP90AB1SLC9A3DHFR | |
| SCHEMBL1881986 | 0.86 | DHFR (0.55) | BACE1ADORA2AHSP90AB1SLC9A3DHFR | |
| SCHEMBL1883379 | 0.84 | RXRA (0.58) | BACE1HSP90AB1SLC9A3MAOBKDM4E | |
| SCHEMBL1879206 | 0.84 | BACE1 (0.49) | BACE1ADORA2AHSP90AB1SLC9A3DHFR | |
| SCHEMBL1879428 | 0.83 | BACE1 (0.48) | BACE1ADORA2AHSP90AB1SLC9A3DHFR | |
| SCHEMBL1877258 | 0.83 | BACE1 (0.52) | BACE1ADORA2AHSP90AB1SLC9A3DHFR | |
| SCHEMBL1879741 | 0.82 | HSP90AB1 (0.55) | BACE1ADORA2AHSP90AB1SLC9A3DHFR |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7947696-B2 | heat shock proteins inhibition, regulation and/or modulation; tumour diseases, viral diseases, for immune suppression in transplants, inflammation-induced diseases, cystic fibrosis, diseases associated with angiogenesis, infectious diseases, autoimmune diseases, ischaemia, fibrogenetic diseases | MERCK PATENT GMBH (DE) | 2011-05-24 | — | — | US | claimed |
| US-20080214586-A1 | 2-Amino-4-Phenylquinazoline Derivatives and the Use Thereof as Hsp90 Modulators | MERCK PATENT GMBH (DE) | 2008-09-04 | — | — | US | claimed |
| CN-101180278-A | 2-amino-4-phenylquinazoline derivates and their use as HSP90 modulators | MERCK PATENT GMBH (DE) | 2008-05-14 | — | — | CN | claimed |
| EP-1881965-A1 | 2-AMINO-4-PHENYLQUINAZOLINE DERIVATES AND THEIR USE AS HSP90 MODULATORS | Merck Patent GmbH (DE) | 2008-01-30 | — | — | EP | claimed |
| WO-2006122631-A1 | 2-AMINO-4-PHENYLQUINAZOLINE DERIVATES AND THEIR USE AS HSP90 MODULATORS | MERCK PATENT GMBH (DE) | 2006-11-23 | — | — | WO | claimed |
| US-7947696-B2 | heat shock proteins inhibition, regulation and/or modulation; tumour diseases, viral diseases, for immune suppression in transplants, inflammation-induced diseases, cystic fibrosis, diseases associated with angiogenesis, infectious diseases, autoimmune diseases, ischaemia, fibrogenetic diseases | MERCK PATENT GMBH (DE) | 2011-05-24 | — | — | US | disclosed |
| CN-101180278-B | 2-amino-4-phenylquinazoline derivates and their use as HSP90 modulators | MERCK PATENT GMBH | 2011-05-04 | — | — | CN | disclosed |
| US-20080214586-A1 | 2-Amino-4-Phenylquinazoline Derivatives and the Use Thereof as Hsp90 Modulators | MERCK PATENT GMBH (DE) | 2008-09-04 | — | — | US | disclosed |
| CN-101180278-A | 2-amino-4-phenylquinazoline derivates and their use as HSP90 modulators | MERCK PATENT GMBH (DE) | 2008-05-14 | — | — | CN | disclosed |
| EP-1881965-A1 | 2-AMINO-4-PHENYLQUINAZOLINE DERIVATES AND THEIR USE AS HSP90 MODULATORS | Merck Patent GmbH (DE) | 2008-01-30 | — | — | EP | disclosed |
| WO-2006122631-A1 | 2-AMINO-4-PHENYLQUINAZOLINE DERIVATES AND THEIR USE AS HSP90 MODULATORS | MERCK PATENT GMBH (DE) | 2006-11-23 | — | — | 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 (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-20080214586-A1 | 2-Amino-4-Phenylquinazoline Derivatives and the Use Thereof as Hsp90 Modulators | HSP90AB2P, HSP90AB1, HSP90AA1 | BACE1 4518/4885ADORA2A 2930/4885CYP3A4 2509/4885 |
“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.