Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.61 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.57 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | KIT | P10721 | 1/20 | 0.53 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.53 |
| ▸ | FLT3 | P36888 | 1/20 | 0.53 |
| ▸ | SORD | Q00796 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | AKT1 | P31749 | 4/20 | 0.49 |
| ▸ | AKT2 | P31751 | 4/20 | 0.49 |
| ▸ | AKT3 | Q9Y243 | 4/20 | 0.49 |
| ▸ | GBA1 | P04062 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2078409 | 0.78 | HRH4 (0.61) | HRH4SORDPOLB | |
| SCHEMBL11015775 | 0.77 | PTK2 (0.73) | HRH4PTK2HRH1HRH3HTT | |
| SCHEMBL27879845 | 0.76 | PTK2 (0.71) | HRH4PTK2HRH1HRH3HTT | |
| SCHEMBL12844776 | 0.76 | HRH4 (1.00) | HRH4PTK2HRH1HRH3HTT | |
| SCHEMBL17005627 | 0.76 | HRH4 (0.62) | HRH4PTK2HRH1HRH3HTT | |
| SCHEMBL5140856 | 0.76 | HRH4 (0.66) | HRH4PTK2HRH1HRH3HTT | |
| SCHEMBL30821993 | 0.76 | PTK2 (0.71) | HRH4PTK2HRH1HRH3HTT | |
| SCHEMBL6569122 | 0.76 | PTK2 (0.71) | HRH4PTK2HRH1HRH3HTT | |
| SCHEMBL27894642 | 0.75 | ACHE (0.66) | HRH4PTK2HTTSMN1; SMN2LMNA | |
| SCHEMBL25656144 | 0.75 | POLB (0.47) | HTTPOLBALDH1A1NPSR1CYP1A2 |
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-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 |
| EP-1751161-A1 | DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS | Bristol-Myers Squibb Company (US) | 2007-02-14 | — | — | EP | disclosed |
| CN-1906199-A | Diazaindole-dicarbonyl-piperazinyl antiviral agents | BRISTOL MYERS SQUIBB CO (US) | 2007-01-31 | — | — | CN | disclosed |
| WO-2005054247-A1 | DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-16 | — | — | WO | 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 | HRH4 3699/4885PTK2 4616/4885HRH1 4289/4885 |
| 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 | HRH4 2018/4885PTK2 3041/4885HRH1 3739/4885 |
“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.