Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15223276 | 0.81 | KDM4E (0.53) | HPGDSCYP2A6HSP90AA1HSP90AB1PTK2 | |
| SCHEMBL445253 | 0.81 | CYP2A6 (0.47) | KMOCYP2A6NPC1RAB9AMAPK1 | |
| SCHEMBL444442 | 0.79 | KMT2A (0.56) | KMONPC1RAB9AMEN1KMT2A | |
| SCHEMBL17153246 | 0.79 | GABRA1 (0.39) | KMOHSP90AA1HSP90AB1PTK2NPC1 | |
| SCHEMBL31390937 | 0.79 | MAPT (0.47) | KMOCYP2A6MAPK14NPC1RAB9A | |
| SCHEMBL26850881 | 0.79 | PIK3CD (0.52) | KMOHSP90AA1HSP90AB1PTK2NPC1 | |
| SCHEMBL3413118 | 0.78 | APP (0.42) | MAPT | |
| SCHEMBL442179 | 0.78 | CYP19A1 (0.50) | KMOCYP2A6MAPK1MAPTPIK3CD | |
| SCHEMBL3561612 | 0.78 | KDM4E (0.47) | KMOMEN1KMT2AMAPTKDM4E | |
| SCHEMBL442515 | 0.76 | HSP90AA1 (0.64) | CYP2A6HSP90AA1HSP90AB1PTK2NPC1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10017509-B2 | Macrocylic pyrimidine derivatives | JANSSEN PHARMACEUTICA NV (BE) | 2018-07-10 | — | — | US | disclosed |
| US-20170022202-A1 | MACROCYLIC PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2017-01-26 | — | — | US | disclosed |
| US-9174992-B2 | Heterobicyclic compounds | AMGEN INC. (US) | 2015-11-03 | — | — | US | disclosed |
| US-9174992-B2 | Heterobicyclic compounds | AMGEN INC. (US) | 2015-11-03 | — | — | US | disclosed |
| US-9174992-B2 | Heterobicyclic compounds | AMGEN INC. (US) | 2015-11-03 | — | — | US | disclosed |
| EP-2820014-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | Amgen Inc. (US) | 2015-01-07 | — | — | EP | disclosed |
| EP-2613775-B1 | N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER | HOFFMANN LA ROCHE (CH) | 2014-07-30 | — | — | EP | disclosed |
| US-8716285-B2 | N-hydroxy-benzamids for the treatment of cancer | HOFFMANN-LA ROCHE INC. (US) | 2014-05-06 | — | — | US | disclosed |
| WO-2013130890-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | AMGEN INC. (US) | 2013-09-06 | — | — | WO | disclosed |
| WO-2013130890-A1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | AMGEN INC. (US) | 2013-09-06 | — | — | WO | disclosed |
| US-20130225552-A1 | HETEROBICYCLIC COMPOUNDS | AMGEN INC. (US) | 2013-08-29 | — | — | US | disclosed |
| US-20130225552-A1 | HETEROBICYCLIC COMPOUNDS | AMGEN INC. (US) | 2013-08-29 | — | — | US | disclosed |
| US-20130225552-A1 | HETEROBICYCLIC COMPOUNDS | AMGEN INC. (US) | 2013-08-29 | — | — | US | disclosed |
| EP-2613775-A1 | NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2013-07-17 | — | — | EP | disclosed |
| US-20120065204-A1 | NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | US | disclosed |
| WO-2012031993-A1 | NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-15 | — | — | WO | 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-20170022202-A1 | MACROCYLIC PYRIMIDINE DERIVATIVES | EEF2K, VPS26B, VPS28 | HPGDS 4157/4885KMO 4212/4885CYP2A6 2725/4885 |
| US-20130225552-A1 | HETEROBICYCLIC COMPOUNDS | PDE10A, PDE1B, PDE9A | HPGDS 3150/4885KMO 2990/4885CYP2A6 1665/4885 |
| US-20120065204-A1 | NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER | HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS | HPGDS 64/4885KMO 2770/4885CYP2A6 1809/4885 |
| US-10017509-B2 | Macrocylic pyrimidine derivatives | EEF2K, VPS26B, VPS28 | HPGDS 4157/4885KMO 4212/4885CYP2A6 2725/4885 |
“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.