Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.48 |
| ▸ | PIK3R1 | P27986 | 4/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11986008 | 0.89 | PIK3CA (0.60) | PDE10APIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL12910167 | 0.87 | PDE10A (0.53) | PDE10APIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL12910174 | 0.84 | PIK3CA (0.57) | PDE10APIK3CAPIK3CGHDAC1MTOR | |
| SCHEMBL12910210 | 0.84 | PDE10A (0.51) | PDE10APIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL12910223 | 0.84 | PDE10A (0.51) | PDE10APIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL12910172 | 0.84 | PIK3CA (0.56) | PDE10APIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL12910195 | 0.83 | PDE10A (0.48) | PDE10APIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL22345212 | 0.82 | PDE10A (0.64) | PDE10APIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL7953012 | 0.82 | PIK3CA (0.52) | PDE10APIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL12910179 | 0.82 | PIK3CA (0.50) | PDE10APIK3CAPIK3CDPIK3CBPIK3CG |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140066620-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | VERASTEM, INC. (US) | 2014-03-06 | — | — | US | disclosed |
| US-20140066620-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | VERASTEM, INC. (US) | 2014-03-06 | — | — | US | disclosed |
| US-20130079512-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | Verastem (US) | 2013-03-28 | — | — | US | disclosed |
| US-20130079512-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | Verastem (US) | 2013-03-28 | — | — | US | disclosed |
| EP-2209786-B1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | VERASTEM INC (US) | 2013-02-27 | — | — | EP | disclosed |
| US-8247410-B2 | Pyrimidine substituted purine derivatives | Verastem (US) | 2012-08-21 | — | — | US | disclosed |
| US-8247410-B2 | Pyrimidine substituted purine derivatives | Verastem (US) | 2012-08-21 | — | — | US | disclosed |
| US-20100298319-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | S*BIO PTE LTD. (SG) | 2010-11-25 | — | — | US | disclosed |
| US-20100298319-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | S*BIO PTE LTD. (SG) | 2010-11-25 | — | — | US | disclosed |
| WO-2009045175-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | S*BIO PTE LTD (SG) | 2009-04-09 | — | — | 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 (3 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-20140066620-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | TYMP, PIK3CA, PNP | PDE10A 1221/4885PIK3CA 2/4885PIK3CD 20/4885 |
| US-20100298319-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | TYMP, PIK3CA, PNP | PDE10A 1221/4885PIK3CA 2/4885PIK3CD 20/4885 |
| US-20130079512-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | TYMP, PIK3CA, PNP | PDE10A 1221/4885PIK3CA 2/4885PIK3CD 20/4885 |
“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.