Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 7/20 | 0.42 |
| ▸ | ADORA1 known ✓ | P30542 | 7/20 | 0.42 |
| ▸ | JAK2 | O60674 | 4/20 | 0.39 |
| ▸ | JAK1 | P23458 | 4/20 | 0.39 |
| ▸ | TYK2 | P29597 | 4/20 | 0.39 |
| ▸ | JAK3 | P52333 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SRPK2 | P78362 | 1/20 | 0.36 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 4/20 | 0.36 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.36 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4765380 | 0.94 | ADORA2A (0.44) | ADORA2AADORA1JAK2JAK1TYK2 | |
| SCHEMBL4762230 | 0.93 | ADORA2A (0.41) | ADORA2AADORA1JAK2JAK1TYK2 | |
| SCHEMBL4765511 | 0.93 | ADORA2A (0.41) | ADORA2AADORA1JAK2JAK1TYK2 | |
| SCHEMBL4768982 | 0.90 | ADORA2A (0.43) | ADORA2AADORA1JAK2JAK1TYK2 | |
| SCHEMBL7257940 | 0.84 | ADORA2A (0.42) | ADORA2AADORA1SRPK2SRPK1PTK2 | |
| SCHEMBL4763351 | 0.84 | ADORA2A (0.45) | ADORA2AADORA1JAK2JAK1TYK2 | |
| SCHEMBL4766011 | 0.83 | ADORA2A (0.42) | ADORA2AADORA1SRPK2SRPK1PTK2 | |
| SCHEMBL7262580 | 0.83 | ADORA2A (0.42) | ADORA2AADORA1SRPK2SRPK1PTK2 | |
| SCHEMBL4762100 | 0.83 | ADORA2A (0.42) | ADORA2AADORA1MAPK1DGAT2 | |
| SCHEMBL14067666 | 0.81 | ADORA2A (0.41) | ADORA2AADORA1SRPK2SRPK1PTK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1496836-B1 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2008-09-24 | — | — | EP | disclosed |
| US-7323460-B2 | N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2008-01-29 | — | — | US | disclosed |
| US-20050176955-A1 | N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors | MERCK SHARP & DOHME CORP. | 2005-08-11 | — | — | 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-20050176955-A1 | N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors | CDK8, PNP, HINT1 | ADORA2A 3566/4885ADORA1 1503/4885JAK2 3902/4885 |
“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.