Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | SLC2A2 | P11168 | 1/20 | 0.48 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.48 |
| ▸ | STK4 | Q13043 | 1/20 | 0.48 |
| ▸ | STK3 | Q13188 | 1/20 | 0.48 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1791524 | 0.86 | RPS6KB1 (0.58) | MAPTTP53LMNAKCNH2HTR1A | |
| SCHEMBL1791626 | 0.85 | RPS6KB1 (0.41) | STK4STK3LRRK2MAPTTP53 | |
| SCHEMBL1791011 | 0.85 | RPS6KB1 (0.44) | DHFRDRD2SLC2A1SLC2A2SLC2A3 | |
| SCHEMBL1791061 | 0.85 | MAPT (0.53) | DHFRDRD2STK4STK3LRRK2 | |
| SCHEMBL1789199 | 0.85 | SLC2A1 (0.50) | DHFRDRD2SLC2A1SLC2A2SLC2A3 | |
| SCHEMBL1791177 | 0.83 | RPS6KB1 (0.55) | STK4STK3LRRK2MAPTTP53 | |
| SCHEMBL1791252 | 0.79 | RPS6KB1 (0.53) | SLC2A1SLC2A2SLC2A3STK4STK3 | |
| SCHEMBL2297365 | 0.77 | ACHE (0.59) | PDE10A | |
| SCHEMBL1792864 | 0.76 | RPS6KB1 (0.52) | LRRK2MAPTTP53LMNAADRA1D | |
| Hydrochloric Acid SCHEMBL5578679 | 0.76 | ACHE (0.58) | PDE10A |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | claimed |
| US-20080076774-A1 | Kinase Modulators and Methods of Use | EXELIXIS, INC. (US) | 2008-03-27 | — | — | US | claimed |
| EP-2101759-B1 | METHODS OF USING MEK INHIBITORS | EXELIXIS INC (US) | 2018-10-10 | — | — | EP | disclosed |
| EP-2139484-B9 | METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA | EXELIXIS INC (US) | 2014-06-11 | — | — | EP | disclosed |
| EP-2139483-B9 | COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER | EXELIXIS INC (US) | 2014-05-21 | — | — | EP | disclosed |
| EP-2139483-B1 | COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER | EXELIXIS INC (US) | 2013-09-18 | — | — | EP | disclosed |
| US-8513266-B2 | Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha | EXELIXIS, INC. (US) | 2013-08-20 | — | — | US | disclosed |
| EP-2139484-B1 | METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA | EXELIXIS INC (US) | 2013-07-17 | — | — | EP | disclosed |
| US-8481001-B2 | Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer | EXELIXIS, INC. (US) | 2013-07-09 | — | — | US | disclosed |
| US-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |
| US-7999006-B2 | Anticancer agents; mitogen-activated protein kinases (MEK) | EXELIXIS, INC. (US) | 2011-08-16 | — | — | US | disclosed |
| US-20110123434-A1 | COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER | EXELIXIS, INC (US) | 2011-05-26 | — | — | US | disclosed |
| US-20100209420-A1 | METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA | EXELIXIS, INC. (US) | 2010-08-19 | — | — | US | disclosed |
| US-20080166359-A1 | Methods of using MEK inhibitors | EXELIXIS, INC. | 2008-07-10 | — | — | US | disclosed |
| US-20080076774-A1 | Kinase Modulators and Methods of Use | EXELIXIS, INC. (US) | 2008-03-27 | — | — | US | disclosed |
| EP-1750727-A2 | KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005117909-A2 | KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-12-15 | — | — | WO | 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 (4 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-20100209420-A1 | METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA | TP53, PHKG1, TNNI3K | DHFR 1432/4885DRD2 4883/4885SLC2A1 3632/4885 |
| US-20110123434-A1 | COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER | TP53, PHKG1, TNNI3K | DHFR 2347/4885DRD2 4875/4885SLC2A1 3051/4885 |
| US-20080166359-A1 | Methods of using MEK inhibitors | BRAF, NRAS, KRAS | DHFR 547/4885DRD2 4867/4885SLC2A1 2742/4885 |
| US-20080076774-A1 | Kinase Modulators and Methods of Use | AKT3, RPS6KA3, CDK3 | DHFR 3314/4885DRD2 3379/4885SLC2A1 587/4885 |
“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.