Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | PAK4 | O96013 | 6/20 | 0.44 |
| ▸ | FADS1 | O60427 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | OGG1 | O15527 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2204038 | 0.89 | GSK3A (0.45) | PAK4FADS1PDE5AGSK3AGSK3B | |
| SCHEMBL13054836 | 0.84 | AURKA (0.38) | ADRA2APAK4FADS1TRPA1PDE5A | |
| SCHEMBL2205613 | 0.83 | PAK4 (0.41) | PAK4FADS1PDE5AGSK3AGSK3B | |
| SCHEMBL5586185 | 0.80 | GRM4 (0.49) | ADRA2AFADS1TRPA1AURKAGRM4 | |
| SCHEMBL2206992 | 0.78 | AURKA (0.61) | AURKAGSK3AGSK3B | |
| SCHEMBL5260234 | 0.77 | PDE5A (0.46) | ADRA2AFADS1TRPA1PDE5AAURKA | |
| SCHEMBL13054842 | 0.76 | GSK3A (0.39) | PAK4FADS1GSK3AGSK3B | |
| SCHEMBL786130 | 0.75 | APP (0.56) | ADRA2APAK4FADS1TRPA1PDE5A | |
| SCHEMBL31471948 | 0.75 | APP (0.56) | ADRA2APAK4FADS1TRPA1PDE5A | |
| SCHEMBL801842 | 0.75 | PIK3CD (0.52) | ADRA2APAK4FADS1TRPA1AURKA |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4234435-B2 | — | — | 2009-03-04 | — | — | JP | claimed |
| CN-100436452-C | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORP (US) | 2008-11-26 | — | — | CN | claimed |
| EP-1355905-B1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMA (US) | 2007-02-21 | — | — | EP | claimed |
| JP-2004519479-A | — | — | 2004-07-02 | — | — | JP | claimed |
| CN-1487933-A | Pyrazole compounds useful as protein kinase inhibitors | ��̩��˹ҩ��ɷ�����˾ | 2004-04-07 | — | — | CN | claimed |
| US-6653300-B2 | Anticancer agents; autoimmune diseases | VERTEX PHARMACEUTICALS INCORPORATED | 2003-11-25 | — | — | US | claimed |
| EP-1355905-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-10-29 | — | — | EP | claimed |
| US-20030004161-A1 | Pyrazole compounds useful as protein kinase inhititors | VERTEX PHARMACEUTICALS INCORPORATED | 2003-01-02 | — | — | US | claimed |
| WO-2002068415-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-09-06 | — | — | WO | claimed |
| US-20210251944-A1 | METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR | DEL MAR PHARMACEUTICALS (BC) LTD. (CA) | 2021-08-19 | — | — | US | disclosed |
| EP-2872161-B1 | DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS | DEL MAR PHARMACEUTICALS (CA) | 2020-12-16 | — | — | EP | disclosed |
| US-20150182490-A1 | METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF | DEL MAR PHARMACEUTICALS (BC) LTD. (CA) | 2015-07-02 | — | — | US | disclosed |
| EP-2872161-A2 | METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF | Del Mar Pharmaceuticals (CA) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014004376-A2 | METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF | DEL MAR PHARMACEUTICALS (CA) | 2014-01-03 | — | — | WO | disclosed |
| US-20030078275-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2003-04-24 | — | — | US | disclosed |
| US-20030055068-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2003-03-20 | — | — | US | disclosed |
| US-20030036543-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2003-02-20 | — | — | US | disclosed |
| US-20030004161-A1 | Pyrazole compounds useful as protein kinase inhititors | VERTEX PHARMACEUTICALS INCORPORATED | 2003-01-02 | — | — | US | disclosed |
| WO-2002057259-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-07-25 | — | — | WO | disclosed |
| WO-2002050065-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-06-27 | — | — | 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 (6 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-20030004161-A1 | Pyrazole compounds useful as protein kinase inhititors | AURKC, AURKA, GSKIP | ADRA2A 2349/4885PAK4 1060/4885FADS1 1049/4885 |
| US-20150182490-A1 | METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF | WHR1, AIPL1, TDP1 | ADRA2A 4755/4885PAK4 2997/4885FADS1 1952/4885 |
| US-20210251944-A1 | METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR | DCLRE1B, AIPL1, WHR1 | ADRA2A 4736/4885PAK4 2748/4885FADS1 1687/4885 |
| US-20030055068-A1 | Pyrazole compounds useful as protein kinase inhibitors | AURKC, AURKA, GSK3B | ADRA2A 2201/4885PAK4 642/4885FADS1 1221/4885 |
| US-20030078275-A1 | Pyrazole compounds useful as protein kinase inhibitors | AURKC, AURKA, GSK3B | ADRA2A 1915/4885PAK4 527/4885FADS1 938/4885 |
| US-20030036543-A1 | Pyrazole compounds useful as protein kinase inhibitors | AURKC, AURKA, GSK3B | ADRA2A 2048/4885PAK4 471/4885FADS1 3172/4885 |
“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.