Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PTAFR | P25105 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL2078416 | 0.91 | CYP3A4 (0.41) | CYP3A4P2RX7FFAR2CYP2C9CYP2C19 | |
| SCHEMBL2080255 | 0.78 | CYP3A4 (0.55) | CYP3A4P2RX7FFAR2CYP2C9CYP2C19 | |
| SCHEMBL2080475 | 0.76 | CYP2C9 (0.38) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8 | |
| SCHEMBL2080709 | 0.76 | CYP3A4 (0.38) | CYP3A4P2RX7FFAR2CYP2C9CYP2C19 | |
| SCHEMBL2081966 | 0.75 | AKT1 (0.44) | CYP3A4 | |
| SCHEMBL2080115 | 0.73 | HCAR2 (0.45) | CYP3A4FFAR2CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1473541 | 0.73 | CYP2C9 (0.39) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8 | |
| SCHEMBL22783646 | 0.73 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8 | |
| SCHEMBL2079841 | 0.73 | CYP2C9 (0.38) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8 | |
| SCHEMBL12828495 | 0.73 | CYP2C9 (0.61) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2C8 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7902204-B2 | 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-08 | — | — | US | disclosed |
| US-7902204-B2 | 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-08 | — | — | US | disclosed |
| US-7902204-B2 | 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-08 | — | — | US | disclosed |
| EP-1751161-B1 | DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2010-07-14 | — | — | EP | disclosed |
| EP-1751161-B1 | DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2010-07-14 | — | — | EP | disclosed |
| US-20080125439-A1 | DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 2008-05-29 | — | — | US | disclosed |
| US-20080125439-A1 | DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 2008-05-29 | — | — | US | disclosed |
| US-20080125439-A1 | DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 2008-05-29 | — | — | US | disclosed |
| US-20050124623-A1 | For example, 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; useful for the treatment of HIV and AIDS | SILEO, LLC | 2005-06-09 | — | — | 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 (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-20080125439-A1 | DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS | ZC3HAV1, ZC3HAV1L, EIF2AK2 | CYP3A4 588/4885P2RX7 1204/4885FFAR2 4797/4885 |
| US-20050124623-A1 | For example, 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; useful for the treatment of HIV and AIDS | CD4, CCR5, PAICS | CYP3A4 270/4885P2RX7 1640/4885FFAR2 4858/4885 |
“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.