Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ACACB | O00763 | 2/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | AVPR1B | P47901 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14459756 | 0.89 | CYP2D6 (0.51) | CYP2D6CYP2C19CYP1A2GAAPOLB | |
| SCHEMBL13116279 | 0.87 | CYP2D6 (0.52) | CYP2D6CYP2C19CYP1A2GAAPOLB | |
| SCHEMBL12794113 | 0.86 | HDAC6 (0.46) | CYP2D6CYP2C19CYP1A2GAAMET | |
| SCHEMBL12536983 | 0.83 | MET (0.45) | CYP2D6CYP2C19CYP1A2METMEN1 | |
| SCHEMBL2289335 | 0.82 | ALDH1A1 (0.46) | CYP2D6CYP2C19CYP1A2GAAPOLB | |
| SCHEMBL12536332 | 0.79 | HTT (0.44) | ALDH1A1MEN1MAPTHPGDALOX12 | |
| SCHEMBL12794129 | 0.78 | USP30 (0.54) | CYP2D6CYP1A2POLBMETCYP2C9 | |
| SCHEMBL12561301 | 0.77 | MET (0.48) | CYP2D6CYP2C19CYP1A2METMEN1 | |
| SCHEMBL12561396 | 0.76 | MET (0.46) | CYP2D6CYP2C19CYP1A2METMEN1 | |
| SCHEMBL6530315 | 0.74 | CYP2D6 (0.50) | CYP2D6CYP2C19CYP1A2GAAMEN1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003662-B2 | Heterobicyclic thiophene compounds and methods of use | ARRAY BIOPHARMA, INC. (US) | 2011-08-23 | — | — | US | disclosed |
| US-8003662-B2 | Heterobicyclic thiophene compounds and methods of use | ARRAY BIOPHARMA, INC. (US) | 2011-08-23 | — | — | US | disclosed |
| US-20110130406-A1 | PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-06-02 | — | — | US | disclosed |
| US-20110130406-A1 | PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-06-02 | — | — | US | disclosed |
| US-20110053931-A1 | QUINOLINE COMPOUNDS AND METHODS OF USE | GAUDINO JOHN | 2011-03-03 | — | — | US | disclosed |
| US-20110053931-A1 | QUINOLINE COMPOUNDS AND METHODS OF USE | GAUDINO JOHN | 2011-03-03 | — | — | US | disclosed |
| US-20100256356-A1 | HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE | ARRAY BIOPHARMA INC. (US) | 2010-10-07 | — | — | US | disclosed |
| US-7723330-B2 | Heterobicyclic pyrazole compounds and methods of use | ARRAY BIOPHARMA INC. (US) | 2010-05-25 | — | — | US | disclosed |
| US-7723330-B2 | Heterobicyclic pyrazole compounds and methods of use | ARRAY BIOPHARMA INC. (US) | 2010-05-25 | — | — | US | disclosed |
| WO-2009033084-A1 | PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2009-03-12 | — | — | WO | disclosed |
| WO-2008063202-A2 | HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER | ARRAY BIOPHARMA INC. (US) | 2008-05-29 | — | — | WO | disclosed |
| US-20070238726-A1 | Heterobicyclic pyrazole compounds and methods of use | GENENTECH, INC. | 2007-10-11 | — | — | US | disclosed |
| US-20070238726-A1 | Heterobicyclic pyrazole compounds and methods of use | GENENTECH, INC. | 2007-10-11 | — | — | US | disclosed |
| WO-2007103308-A2 | HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE | ARRAY BIOPHARMA INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| US-20070197537-A1 | Heterobicyclic thiophene compounds and methods of use | ARRAY BIOPHARMA, INC. | 2007-08-23 | — | — | US | disclosed |
| US-20070197537-A1 | Heterobicyclic thiophene compounds and methods of use | ARRAY BIOPHARMA, INC. | 2007-08-23 | — | — | 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 (5 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-20070197537-A1 | Heterobicyclic thiophene compounds and methods of use | ERBB2, LCK, SRC | CYP2D6 436/4885CYP2C19 426/4885CYP1A2 1021/4885 |
| US-20100256356-A1 | HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE | ROR1, CYP11B1, CYP11B2 | CYP2D6 137/4885CYP2C19 139/4885CYP1A2 254/4885 |
| US-20110130406-A1 | PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS | TYRO3, LCK, LTK | CYP2D6 669/4885CYP2C19 481/4885CYP1A2 711/4885 |
| US-20070238726-A1 | Heterobicyclic pyrazole compounds and methods of use | ROR1, CYP11B1, CYP11B2 | CYP2D6 137/4885CYP2C19 139/4885CYP1A2 254/4885 |
| US-20110053931-A1 | QUINOLINE COMPOUNDS AND METHODS OF USE | TK1, ABL1, ROR1 | CYP2D6 361/4885CYP2C19 712/4885CYP1A2 161/4885 |
“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.