Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | SNCA | P37840 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2341649 | 0.86 | AR (0.42) | AR | |
| SCHEMBL8979369 | 0.82 | AR (0.45) | AR | |
| SCHEMBL2330720 | 0.82 | AR (0.45) | AR | |
| SCHEMBL2335241 | 0.71 | PTGS2 (0.36) | PTGS2PTGS1CYP2D6L3MBTL1ALDH1A1 | |
| SCHEMBL10676628 | 0.70 | AR (0.43) | ARHTR1A | |
| SCHEMBL1541561 | 0.66 | CYP2D6 (0.50) | CYP2D6L3MBTL1ALDH1A1LMNAKDM4E | |
| SCHEMBL9516182 | 0.66 | CYP2D6 (0.43) | CYP2D6L3MBTL1ALDH1A1LMNAKDM4E | |
| SCHEMBL2913563 | 0.65 | CYP2D6 (0.41) | CYP2D6L3MBTL1ALDH1A1LMNAKDM4E | |
| Fluoromethane SCHEMBL20577007 | 0.65 | GAA (0.56) | CYP2D6L3MBTL1ALDH1A1LMNAKDM4E | |
| SCHEMBL11432043 | 0.65 | GAA (0.62) | CYP2D6L3MBTL1ALDH1A1LMNAKDM4E |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1211254-B1 | Process for the preparation of benzoxazine derivatives and intermediates therefor | DAIICHI SANKYO CO LTD (JP) | 2014-05-07 | — | — | EP | disclosed |
| EP-2284174-B1 | Intermediates for the preparation of benzoxazine derivatives and process for their preparation | DAIICHI SANKYO CO LTD (JP) | 2014-03-05 | — | — | EP | disclosed |
| EP-2360160-B1 | Intermediates and their use for producing benzoxazine derivative | DAIICHI SANKYO CO LTD (JP) | 2013-07-24 | — | — | EP | disclosed |
| EP-2218722-B9 | Process for producing benzoxazine derivative and production intermediate thereof | DAIICHI SANKYO CO LTD (JP) | 2013-06-19 | — | — | EP | disclosed |
| EP-2218722-B1 | Process for producing benzoxazine derivative and production intermediate thereof | DAIICHI SANKYO CO LTD (JP) | 2013-03-13 | — | — | EP | disclosed |
| EP-2360160-A1 | Intermediates and their use for producing benzoxazine derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-08-24 | — | — | EP | disclosed |
| EP-2284174-A1 | INTERMEDIATES FOR THE PREPARATION OF BENZOXAZINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | Daiichi Sankyo Company, Limited (JP) | 2011-02-16 | — | — | EP | disclosed |
| EP-2218722-A2 | Process for producing benzoxazine derivative and production intermediate thereof | Daiichi Sankyo Company, Limited (JP) | 2010-08-18 | — | — | EP | disclosed |
| US-7189847-B2 | Process for producing benzoxazine derivative and production intermediate thereof | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-03-13 | — | — | US | disclosed |
| US-7087778-B2 | Process for producing benzoxazine derivative and production intermediate thereof | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-08-08 | — | — | US | disclosed |
| US-20060014947-A1 | Process for producing benzoxazine derivative and production intermediate thereof | DAIICHI PHARMACEUTICAL CO., LTD. | 2006-01-19 | — | — | US | disclosed |
| US-6872823-B1 | Process for producing benzoxazine derivative and production intermediate thereof | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-03-29 | — | — | US | disclosed |
| US-20050027119-A1 | Process for producing benzoxazine derivative and production intermediate thereof | DAIICHI PHARMACEUTICAL CO., LTD. | 2005-02-03 | — | — | US | disclosed |
| EP-1211254-A1 | PROCESS FOR THE PREPARATION OF BENZOXAZINE DERIVATIVES AND INTERMEDIATES THEREFOR | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2002-06-05 | — | — | EP | 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-20060014947-A1 | Process for producing benzoxazine derivative and production intermediate thereof | CYP4Z1, COASY, VAT1 | AR 3980/4885PTGS2 1118/4885PTGS1 1443/4885 |
| US-20050027119-A1 | Process for producing benzoxazine derivative and production intermediate thereof | CYP4Z1, COASY, VAT1 | AR 3999/4885PTGS2 1207/4885PTGS1 1690/4885 |
“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.