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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.39 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.33 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B known ✓ | P29275 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.34 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL29535595 | 0.81 | AGBL2 (0.47) | RAB9ADAOHTR2AHTR2CKCNH2 | |
| SCHEMBL12984381 | 0.81 | AGBL2 (0.47) | RAB9ADAOHTR2AHTR2CKCNH2 | |
| SCHEMBL12986732 | 0.79 | RAB9A (0.40) | CA2RAB9ADAOHTR2AHTR2C | |
| SCHEMBL21909136 | 0.79 | RAB9A (0.40) | RAB9ADAOHTR2AHTR2CKCNH2 | |
| SCHEMBL1979245 | 0.79 | RAB9A (0.40) | RAB9ADAOHTR2AHTR2CKCNH2 | |
| SCHEMBL31191353 | 0.78 | L3MBTL1 (0.42) | CA1CA2RAB9ADAO | |
| SCHEMBL9661934 | 0.76 | RAB9A (0.66) | CA1CA2RAB9A | |
| SCHEMBL24086542 | 0.75 | RAB9A (0.37) | RAB9ADAOHTR2ASRCAGBL2 | |
| SCHEMBL15174174 | 0.75 | TYK2 (0.43) | RAB9ADAOADORA2A | |
| SCHEMBL30136504 | 0.75 | SRC (0.39) | RAB9ADAOSRCAGBL2ADORA2A |
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-8633207-B2 | Quinazoline compounds and methods of use thereof | AMBIT BIOSCIENCES CORPORATION (US) | 2014-01-21 | — | — | US | disclosed |
| EP-2611789-A1 | QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012030948-A1 | QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2012-03-08 | — | — | WO | disclosed |
| US-20120053174-A1 | QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION | 2012-03-01 | — | — | 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-20120053174-A1 | QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF | JAK3, JAK2, TYK2 | CA1 4863/4885CA2 4303/4885GABRA5 2059/4885 |
“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.