Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 1.00 |
| ▸ | TGFBR1 | P36897 | 1/20 | 1.00 |
| ▸ | GSK3A | P49840 | 1/20 | 1.00 |
| ▸ | GSK3B | P49841 | 1/20 | 1.00 |
| ▸ | STK4 | Q13043 | 1/20 | 1.00 |
| ▸ | STK3 | Q13188 | 1/20 | 1.00 |
| ▸ | BMPR2 | Q13873 | 1/20 | 1.00 |
| ▸ | STK26 | Q9P289 | 1/20 | 1.00 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 1.00 |
| ▸ | IGF1R | P08069 | 12/20 | 0.74 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.70 |
| ▸ | CCNK | O75909 | 1/20 | 0.65 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.65 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.65 |
| ▸ | SRC | P12931 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL15956798 | 0.87 | IGF1R (0.79) | AKT1TGFBR1GSK3AGSK3BSTK4 | |
| SCHEMBL21067407 | 0.85 | IGF1R (0.82) | AKT1TGFBR1GSK3AGSK3BSTK4 | |
| SCHEMBL1164479 | 0.84 | AKT1 (0.73) | AKT1TGFBR1GSK3AGSK3BSTK4 | |
| SCHEMBL12045456 | 0.83 | AKT1 (0.71) | AKT1TGFBR1GSK3AGSK3BSTK4 | |
| SCHEMBL16081590 | 0.83 | NEK1 (0.79) | AKT1TGFBR1GSK3AGSK3BSTK4 | |
| SCHEMBL12783949 | 0.82 | IGF1R (0.78) | AKT1TGFBR1GSK3AGSK3BSTK4 | |
| SCHEMBL12430931 | 0.82 | IGF1R (0.73) | AKT1TGFBR1GSK3AGSK3BSTK4 | |
| SCHEMBL1164792 | 0.81 | AKT1 (0.68) | AKT1TGFBR1GSK3AGSK3BSTK4 | |
| SCHEMBL15957070 | 0.80 | IGF1R (0.74) | AKT1TGFBR1GSK3AGSK3BSTK4 | |
| SCHEMBL17525326 | 0.80 | IGF1R (0.70) | AKT1TGFBR1GSK3AGSK3BSTK4 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2340248-B1 | METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY | UNIV CALIFORNIA (US) | 2017-05-31 | — | — | EP | disclosed |
| US-9422271-B2 | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-23 | — | — | US | disclosed |
| US-9422271-B2 | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-23 | — | — | US | disclosed |
| US-9422271-B2 | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-23 | — | — | US | disclosed |
| US-9382230-B2 | Methods and compositions for modulating Ire1, SRC and ABL activity | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-07-05 | — | — | US | disclosed |
| US-9382230-B2 | Methods and compositions for modulating Ire1, SRC and ABL activity | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-07-05 | — | — | US | disclosed |
| US-20150011575-A1 | METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2015-01-08 | — | — | US | disclosed |
| US-20150011575-A1 | METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2015-01-08 | — | — | US | disclosed |
| US-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-04 | — | — | US | disclosed |
| US-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-04 | — | — | US | disclosed |
| US-8815885-B2 | Methods and compositions for modulating IRE1, SRC, and ABL activity | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-08-26 | — | — | US | disclosed |
| EP-2464641-B1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMA (US) | 2014-06-25 | — | — | EP | disclosed |
| EP-2464641-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2012-06-20 | — | — | EP | disclosed |
| US-20110319436-A1 | Methods and Compositions for Modulating IRE1, SRC, and ABL Activity | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-12-29 | — | — | US | disclosed |
| US-20110319436-A1 | Methods and Compositions for Modulating IRE1, SRC, and ABL Activity | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-12-29 | — | — | US | disclosed |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-03 | — | — | US | disclosed |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-03 | — | — | US | disclosed |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-03 | — | — | US | disclosed |
| WO-2011019405-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-17 | — | — | WO | disclosed |
| WO-2010031056-A2 | METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-03-18 | — | — | 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-20150011575-A1 | METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY | XBP1, SRC, HSP90B1 | AKT1 449/4885TGFBR1 4205/4885GSK3A 1194/4885 |
| US-20110319436-A1 | Methods and Compositions for Modulating IRE1, SRC, and ABL Activity | XBP1, SRC, HSP90B1 | AKT1 449/4885TGFBR1 4205/4885GSK3A 1194/4885 |
| US-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | TYMS, TYMP, DPYD | AKT1 3067/4885TGFBR1 3210/4885GSK3A 1515/4885 |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | TYMS, TYMP, DPYD | AKT1 3067/4885TGFBR1 3210/4885GSK3A 1515/4885 |
“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.