Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | LSS | P48449 | 1/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | LTA4H | P09960 | 2/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
| ▸ | BRAF | P15056 | 6/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL22831351 | 0.89 | CHRNB2 (0.62) | CYP2D6CYP3A4HRH3CHRNB2CHRNA4 | |
| SCHEMBL12461233 | 0.82 | BRAF (0.59) | BRAFALOX5 | |
| SCHEMBL22831331 | 0.81 | LSS (0.83) | CYP2D6CYP3A4LSSHRH3CYP1A2 | |
| SCHEMBL11880071 | 0.81 | CYP1A2 (0.55) | CYP2D6CYP3A4HRH3CHRNB2CHRNA4 | |
| SCHEMBL22831330 | 0.79 | KDM4E (0.63) | CYP2D6CYP3A4LSSHRH3CHRNB2 | |
| SCHEMBL14129958 | 0.79 | CYP2D6 (1.00) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12461206 | 0.79 | BRAF (0.66) | BRAFALOX5 | |
| SCHEMBL28214027 | 0.78 | KDM4E (0.65) | CYP2D6CYP3A4LSSHRH3CHRNB2 | |
| SCHEMBL11991755 | 0.78 | CHRNB2 (0.50) | CYP2D6LSSHRH3CHRNB2CHRNA4 | |
| SCHEMBL23969990 | 0.77 | LSS (0.56) | CYP2D6LSSHRH3CYP1A2CYP2C9 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090054467-A1 | Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases | BETSCHART CLAUDIA | 2009-02-26 | — | — | US | disclosed |
| US-20090054467-A1 | Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases | BETSCHART CLAUDIA | 2009-02-26 | — | — | US | disclosed |
| US-20090054467-A1 | Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases | BETSCHART CLAUDIA | 2009-02-26 | — | — | US | disclosed |
| US-7452886-B2 | Pyrrolo pyrimidines as agents for the inhibition of cystein proteases | NOVARTIS AG (CH) | 2008-11-18 | — | — | US | disclosed |
| US-7452886-B2 | Pyrrolo pyrimidines as agents for the inhibition of cystein proteases | NOVARTIS AG (CH) | 2008-11-18 | — | — | US | disclosed |
| US-7452886-B2 | Pyrrolo pyrimidines as agents for the inhibition of cystein proteases | NOVARTIS AG (CH) | 2008-11-18 | — | — | US | disclosed |
| EP-1423391-B8 | PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES | NOVARTIS AG (CH) | 2007-12-12 | — | — | EP | disclosed |
| EP-1423391-B1 | PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES | NOVARTIS AG (CH) | 2006-05-17 | — | — | EP | disclosed |
| US-20050054851-A1 | Pyrrolo pyrimidines as agents for the inhibition of cystein proteases | NOVARTIS AG (CH) | 2005-03-10 | — | — | US | disclosed |
| EP-1423391-A1 | PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES | Novartis AG (CH) | 2004-06-02 | — | — | EP | disclosed |
| WO-2003020721-A1 | PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES | NOVARTIS AG (CH) | 2003-03-13 | — | — | WO | disclosed |
| WO-2003020721-A1 | PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES | NOVARTIS AG (CH) | 2003-03-13 | — | — | 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-20050054851-A1 | Pyrrolo pyrimidines as agents for the inhibition of cystein proteases | CTSK, CTSS, CTSZ | CYP2D6 2419/4885CYP3A4 3137/4885LSS 3075/4885 |
| US-20090054467-A1 | Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases | CTSK, CTSS, CTSZ | CYP2D6 2419/4885CYP3A4 3137/4885LSS 3075/4885 |
“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.