Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 11/20 | 0.59 |
| ▸ | MTOR | P42345 | 5/20 | 0.59 |
| ▸ | PIK3R1 | P27986 | 4/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 7/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 7/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 7/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 7/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8050265 | 0.91 | PIK3CA (0.51) | PIK3CAMTORPIK3R1ADORA2APIK3CD | |
| SCHEMBL8053186 | 0.88 | PIK3CA (0.76) | PIK3CAMTORPIK3R1ADORA2APIK3CD | |
| SCHEMBL8067087 | 0.84 | PIK3CA (0.62) | PIK3CAMTORPIK3R1PIK3CDPIK3CB | |
| SCHEMBL8053699 | 0.84 | PIK3CA (0.61) | PIK3CAMTORPIK3R1PIK3CDPIK3CB | |
| SCHEMBL8050492 | 0.83 | PIK3CA (0.62) | PIK3CAMTORPIK3R1ADORA2APIK3CD | |
| SCHEMBL8062411 | 0.82 | PIK3CA (0.59) | PIK3CAMTORPIK3R1PIK3CDPIK3CB | |
| SCHEMBL12945852 | 0.77 | PIK3CA (0.52) | PIK3CAMTORPIK3R1PIK3CDPIK3CB | |
| SCHEMBL1569338 | 0.77 | PIK3CA (0.55) | PIK3CAMTORPIK3R1PIK3CDPIK3CB | |
| SCHEMBL12910221 | 0.76 | PIK3CA (0.56) | PIK3CAMTORHDAC3HDAC4HDAC1 | |
| SCHEMBL1568801 | 0.76 | PIK3CA (0.57) | PIK3CAMTORPIK3R1PIK3CDPIK3CB |
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 | PIK3CA 2/4885MTOR 7/4885PIK3R1 153/4885 |
| US-20100298319-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | TYMP, PIK3CA, PNP | PIK3CA 2/4885MTOR 7/4885PIK3R1 153/4885 |
| US-20130079512-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | TYMP, PIK3CA, PNP | PIK3CA 2/4885MTOR 7/4885PIK3R1 153/4885 |
“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.