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 | |
|---|---|---|---|---|
| ▸ | PTPN2 | P17706 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 4/20 | 0.35 |
| ▸ | PPARA | Q07869 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5999254 | 0.92 | PTPN2 (0.52) | PTPN2PTPN1RAB9ANPC1ALOX5 | |
| SCHEMBL6000519 | 0.90 | PTPN2 (0.41) | PTPN2PTPN1RAB9ANPC1ALOX5 | |
| SCHEMBL6000673 | 0.87 | PTPN2 (0.45) | PTPN2PTPN1RAB9ANPC1ALOX5 | |
| SCHEMBL6000441 | 0.87 | PTPN2 (0.44) | PTPN2PTPN1RAB9ANPC1ALOX5 | |
| Sulfuric Acid SCHEMBL6000124 | 0.83 | PTPN1 (0.50) | PTPN2PTPN1RAB9ANPC1ALOX5 | |
| SCHEMBL5999728 | 0.82 | PTPN2 (0.49) | PTPN2PTPN1RAB9ANPC1PPARG | |
| SCHEMBL6001102 | 0.82 | PTPN2 (0.49) | PTPN2PTPN1PPARGPPARANPSR1 | |
| SCHEMBL6000456 | 0.82 | PTPN2 (0.52) | PTPN2PTPN1RAB9ANPC1ALOX5 | |
| SCHEMBL6001018 | 0.81 | PTPN2 (0.45) | PTPN2PTPN1RAB9ANPC1ALOX5 | |
| Hydrochloric Acid SCHEMBL6000734 | 0.81 | PTPN2 (0.52) | PTPN2PTPN1RAB9ANPC1ALOX5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060122181-A1 | Heteroaromatic pentacyclic compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2006-06-08 | — | — | US | claimed |
| EP-1553091-A1 | HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2005-07-13 | — | — | EP | claimed |
| US-20060122181-A1 | Heteroaromatic pentacyclic compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2006-06-08 | — | — | US | disclosed |
| EP-1553091-A1 | HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2005-07-13 | — | — | 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 (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-20060122181-A1 | Heteroaromatic pentacyclic compound and medicinal use thereof | PTPN11, PTPN1, PTPN3 | PTPN2 11/4885PTPN1 2/4885RAB9A 1393/4885 |
“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.