Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 12/20 | 0.44 |
| ▸ | AKT2 | P31751 | 12/20 | 0.44 |
| ▸ | AKT3 | Q9Y243 | 12/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | AKT1S1 | Q96B36 | 1/20 | 0.40 |
| ▸ | SORD | Q00796 | 1/20 | 0.39 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2080115 | 0.90 | HCAR2 (0.45) | HRH4CYP3A4SORDKIT | |
| SCHEMBL2080255 | 0.84 | CYP3A4 (0.55) | CYP3A4KIT | |
| SCHEMBL4106729 | 0.79 | AKT1 (0.41) | AKT1AKT2AKT3PDGFRBCYP3A4 | |
| SCHEMBL12215227 | 0.77 | CYP3A4 (0.56) | AKT1AKT2AKT3PDGFRBCYP3A4 | |
| SCHEMBL2078416 | 0.77 | CYP3A4 (0.41) | CYP3A4 | |
| SCHEMBL12215231 | 0.75 | CYP3A4 (0.57) | AKT1AKT2AKT3PDGFRBCYP3A4 | |
| SCHEMBL2083367 | 0.75 | CYP3A4 (0.36) | CYP3A4 | |
| SCHEMBL12215225 | 0.75 | CYP3A4 (0.72) | AKT1AKT2AKT3PDGFRBHRH4 | |
| SCHEMBL2081274 | 0.75 | HCAR2 (0.46) | HRH4SORDKIT | |
| SCHEMBL12215264 | 0.74 | AKT1 (0.45) | AKT1AKT2AKT3PDGFRBHRH4 |
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 | AKT1 2646/4885AKT2 2679/4885AKT3 1903/4885 |
| 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 | AKT1 4143/4885AKT2 3912/4885AKT3 3119/4885 |
“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.