Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 5/20 | 0.33 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.33 |
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 SCHEMBL1322089 | 0.94 | CDC7 (0.38) | ALDH1A1TDP1SMN1; SMN2MAPTL3MBTL1 | |
| Manogepix SCHEMBL1322991 | 0.91 | CDC7 (0.36) | ALDH1A1TDP1SMN1; SMN2MAPTL3MBTL1 | |
| Manogepix SCHEMBL1323004 | 0.91 | CDC7 (0.36) | ALDH1A1TDP1SMN1; SMN2MAPTL3MBTL1 | |
| Manogepix SCHEMBL1322795 | 0.91 | NPC1 (0.37) | ALDH1A1TDP1SMN1; SMN2MAPTL3MBTL1 | |
| Manogepix SCHEMBL1323591 | 0.90 | CDC7 (0.36) | ALDH1A1TDP1SMN1; SMN2L3MBTL1CYP2D6 | |
| Manogepix SCHEMBL1322794 | 0.89 | CDC7 (0.36) | ALDH1A1TDP1SMN1; SMN2MAPTL3MBTL1 | |
| Manogepix SCHEMBL510522 | 0.87 | NPC1 (0.41) | ALDH1A1TDP1SMN1; SMN2MAPTL3MBTL1 | |
| Manogepix SCHEMBL30518388 | 0.87 | NPC1 (0.41) | ALDH1A1TDP1SMN1; SMN2MAPTL3MBTL1 | |
| Manogepix SCHEMBL30375321 | 0.87 | NPC1 (0.41) | ALDH1A1TDP1SMN1; SMN2MAPTL3MBTL1 | |
| Manogepix SCHEMBL1323253 | 0.87 | CDC7 (0.36) | ALDH1A1TDP1SMN1; SMN2L3MBTL1HTT |
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 | PIK3CD 2031/4885KDR 3508/4885ALDH1A1 2213/4885 |
“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.