Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL62418 | 0.91 | MCL1 (0.39) | MCL1ENPP2DAOHDAC8HDAC6 | |
| SCHEMBL4806613 | 0.91 | MCL1 (0.48) | MCL1DAOHDAC8HDAC6ALDH1A1 | |
| SCHEMBL89220 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL5108516 | 0.88 | — | — | |
| SCHEMBL27664732 | 0.88 | — | — | |
| SCHEMBL62419 | 0.86 | MCL1 (0.42) | MCL1ALDH1A1AR | |
| SCHEMBL61612 | 0.86 | MCL1 (0.42) | MCL1DAOHDAC8HDAC6ALDH1A1 | |
| Pyrrole SCHEMBL28148019 | 0.82 | MCL1 (0.42) | MCL1 | |
| Pyrrole SCHEMBL28148018 | 0.82 | MCL1 (0.42) | MCL1 | |
| Acetic Acid SCHEMBL9900421 | 0.81 | MCL1 (0.42) | MCL1DAOALDH1A1HPGD |
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-7446211-B2 | Reacting 1-methylpyrrole-2-carbonitrile with triisopropylborate in presence of lithium diisopropyl amine to produce (5-cyano-1-methyl-1H-pyrrol-2-yl) boronic acid | WYETH (US) | 2008-11-04 | — | — | US | claimed |
| US-20050272702-A1 | Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls | WYETH (US) | 2005-12-08 | — | — | US | claimed |
| US-8129524-B2 | Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same | WYETH LLC (US) | 2012-03-06 | — | — | US | disclosed |
| US-20120016118-A1 | CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME | WYETH LLC (US) | 2012-01-19 | — | — | US | disclosed |
| CN-1946716-B | Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same | WYETH (US) | 2011-12-21 | — | — | CN | disclosed |
| US-8003784-B2 | Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same | WYETH LLC (US) | 2011-08-23 | — | — | US | disclosed |
| US-20090306371-A1 | CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME | WYETH (US) | 2009-12-10 | — | — | US | disclosed |
| US-7582755-B2 | Such as 2-amino-5-(5-cyano-1-methyl-1H-pyrrol-2-yl) benzoic acid methyl ester by reacting cyanopyrrole with coupling agent, reacting with anthranilic alcohol or anthranilic nitro alcohol to form cyanopyrrole substituted anthranilic alcohol or cyanopyrrole substituted anthranilic nitro alcohol, reducing | WYETH (US) | 2009-09-01 | — | — | US | disclosed |
| EP-1756095-B1 | CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME | WYETH CORP (US) | 2008-05-21 | — | — | EP | disclosed |
| CN-1946716-A | Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same | WYETH CORP (US) | 2007-04-11 | — | — | CN | disclosed |
| US-20050239779-A1 | Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same | WYETH (US) | 2005-10-27 | — | — | 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 (4 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-20050239779-A1 | Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same | CBR3, MMAB, CTH | MCL1 2582/4885ENPP2 4034/4885DAO 629/4885 |
| US-20120016118-A1 | CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME | CBR3, CTH, MMAB | MCL1 2097/4885ENPP2 3805/4885DAO 583/4885 |
| US-20050272702-A1 | Coupling process for generating reactive boron-containing derivatives of N-substituted pyrrole-2-carbonitriles to produce biaryls | BOLA2; BOLA2B, BRI3BP, BROX | MCL1 2502/4885ENPP2 2643/4885DAO 1233/4885 |
| US-20090306371-A1 | CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME | CBR3, CTH, MMAB | MCL1 2174/4885ENPP2 3776/4885DAO 578/4885 |
“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.