Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 13/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3308470 | 0.84 | GNE (0.49) | NPC1RAB9ASMN1; SMN2POLBHPGD | |
| SCHEMBL15313374 | 0.83 | HPGD (0.50) | KDM4CNPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL13741164 | 0.83 | HRH3 (0.47) | HRH3 | |
| SCHEMBL3117292 | 0.81 | SIGMAR1 (0.50) | HRH4HRH3HPGD | |
| SCHEMBL28478520 | 0.81 | L3MBTL1 (0.39) | KDM4CNPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL20029119 | 0.80 | SMN1; SMN2 (0.53) | NPC1RAB9ASMN1; SMN2POLBHPGD | |
| SCHEMBL17177177 | 0.76 | SPR (0.42) | — | |
| SCHEMBL5787897 | 0.76 | CYP2D6 (0.50) | SMN1; SMN2HRH4 | |
| SCHEMBL24423908 | 0.76 | TSHR (0.52) | NPC1RAB9ASMN1; SMN2POLBHPGD | |
| SCHEMBL13139384 | 0.75 | RECQL (0.47) | NPC1RAB9ASMN1; SMN2HPGD |
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 7 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 |
| EP-1751161-B1 | DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2010-07-14 | — | — | EP | disclosed |
| US-20090215766-A1 | TETRACYCLIC INHIBITORS OF JANUS KINASES | INCYTE CORPORATION | 2009-08-27 | — | — | 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 |
| 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 (3 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-20090215766-A1 | TETRACYCLIC INHIBITORS OF JANUS KINASES | JAK1, JAK2, JAK3 | KDM4C 1163/4885NPC1 4245/4885RAB9A 2893/4885 |
| US-20080125439-A1 | DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS | ZC3HAV1, ZC3HAV1L, EIF2AK2 | KDM4C 163/4885NPC1 841/4885RAB9A 1212/4885 |
| 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 | KDM4C 212/4885NPC1 1373/4885RAB9A 3474/4885 |
“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.