Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP2 | P42575 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 3/20 | 0.39 |
| ▸ | CLK1 | P49759 | 3/20 | 0.39 |
| ▸ | CLK2 | P49760 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6128772 | 0.92 | NPC1 (0.44) | PIK3CAPIK3CBPIK3CGHDAC3NCOR1 | |
| SCHEMBL2176307 | 0.89 | KDR (0.41) | PIK3CAPIK3CBPIK3CGHDAC3NCOR1 | |
| SCHEMBL2175597 | 0.89 | HDAC3 (0.39) | PIK3CAPIK3CBPIK3CGHDAC3NCOR1 | |
| SCHEMBL2178148 | 0.89 | HSD17B1 (0.46) | PIK3CAPIK3CBPIK3CGHDAC3NCOR1 | |
| SCHEMBL6128802 | 0.89 | HDAC3 (0.43) | PIK3CAPIK3CBPIK3CGHDAC3NCOR1 | |
| SCHEMBL6128782 | 0.88 | HDAC3 (0.38) | PIK3CAPIK3CBPIK3CGHDAC3NCOR1 | |
| SCHEMBL6128580 | 0.86 | HDAC3 (0.40) | PIK3CAPIK3CBPIK3CGHDAC3NCOR1 | |
| SCHEMBL2175891 | 0.86 | HDAC3 (0.49) | PIK3CAPIK3CBPIK3CGHDAC3NCOR1 | |
| SCHEMBL6128583 | 0.86 | HDAC3 (0.35) | PIK3CAPIK3CBPIK3CGHDAC3NCOR1 | |
| SCHEMBL6128781 | 0.86 | MTNR1A (0.36) | PIK3CAPIK3CBPIK3CGHDAC3NCOR1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2519519-A2 | SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS | ArQule, Inc. (US) | 2012-11-07 | — | — | EP | disclosed |
| US-8173808-B2 | Substituted naphthalenyl-pyrimidine compounds | ARQULE, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| US-8173808-B2 | Substituted naphthalenyl-pyrimidine compounds | ARQULE, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| WO-2011082268-A2 | SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS | ARQULE INC. (US) | 2011-07-07 | — | — | WO | disclosed |
| US-20110166137-A1 | Substituted Naphthalenyl-Pyrimidine Compounds | ARQULE, INC. (US) | 2011-07-07 | — | — | US | disclosed |
| US-20110166137-A1 | Substituted Naphthalenyl-Pyrimidine Compounds | ARQULE, INC. (US) | 2011-07-07 | — | — | US | disclosed |
| US-20110166137-A1 | Substituted Naphthalenyl-Pyrimidine Compounds | ARQULE, INC. (US) | 2011-07-07 | — | — | US | disclosed |
| WO-2011082268-A2 | SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS | ARQULE INC. (US) | 2011-07-07 | — | — | 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 (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-20110166137-A1 | Substituted Naphthalenyl-Pyrimidine Compounds | DPYD, TP53, TYMP | CASP2 1961/4885PIK3CA 338/4885PIK3CB 1062/4885 |
“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.