Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Manogepix. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | PAK4 | O96013 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Manogepix SCHEMBL1323004 | 0.96 | CDC7 (0.36) | NPC1ALDH1A1CYP2C19CDC7JAK2 | |
| Manogepix SCHEMBL1322991 | 0.96 | CDC7 (0.36) | NPC1ALDH1A1CYP2C19CDC7JAK2 | |
| Manogepix SCHEMBL1322089 | 0.95 | CDC7 (0.38) | NPC1ALDH1A1CYP2C19CDC7JAK2 | |
| Manogepix SCHEMBL1322794 | 0.95 | CDC7 (0.36) | NPC1ALDH1A1CYP2C19CDC7JAK2 | |
| Manogepix SCHEMBL1323591 | 0.95 | CDC7 (0.36) | NPC1ALDH1A1CYP2C19CDC7JAK2 | |
| Manogepix SCHEMBL510522 | 0.94 | NPC1 (0.41) | NPC1ALDH1A1CYP2C19CDC7JAK2 | |
| Manogepix SCHEMBL30375321 | 0.94 | NPC1 (0.41) | NPC1ALDH1A1CYP2C19CDC7JAK2 | |
| Manogepix SCHEMBL30518388 | 0.94 | NPC1 (0.41) | NPC1ALDH1A1CYP2C19CDC7JAK2 | |
| Manogepix SCHEMBL1323608 | 0.93 | NPC1 (0.41) | NPC1ALDH1A1CYP2C19CDC7JAK2 | |
| Manogepix SCHEMBL1323256 | 0.93 | NPC1 (0.41) | NPC1ALDH1A1CYP2C19CDC7JAK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8058444-B2 | acid salt of 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-yl amine; inhibiting fungal GPI (glycosylphosphatidyl-inositol) biosynthesis and expression of cell wall proteins; antifungal agents; active against azole-resistant fungi; preventive or therapeutic agent for fungal infections | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-11-15 | — | — | US | disclosed |
| EP-2143723-A1 | SALT OF HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE OR CRYSTAL THEREOF | Eisai R&D Management Co., Ltd. (JP) | 2010-01-13 | — | — | EP | disclosed |
| US-20080275244-A1 | HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE'S SALT OR CRYSTAL THEREOF | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2008-11-06 | — | — | 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 (1 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-20080275244-A1 | HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE'S SALT OR CRYSTAL THEREOF | PDXK, REN, JAK2 | NPC1 4237/4885ALDH1A1 2213/4885CYP2C19 698/4885 |
“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.