Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 6/20 | 0.52 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 2/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1803512 | 0.83 | XDH (0.50) | XDHYTHDC1ADORA2ADHFRPI4KA | |
| SCHEMBL947819 | 0.82 | XDH (0.47) | XDHYTHDC1CFTRGRM1CYP2D6 | |
| SCHEMBL3749228 | 0.81 | PIK3CA (0.60) | XDHPIK3CAMTOR | |
| SCHEMBL945799 | 0.80 | XDH (0.55) | XDHYTHDC1PI4KAPI4K2BPI4K2A | |
| SCHEMBL28960375 | 0.74 | XDH (0.62) | XDHADORA2ADHFRPI4KAPI4K2B | |
| SCHEMBL539257 | 0.71 | PIK3CA (0.62) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL3652814 | 0.69 | ADORA2A (0.58) | YTHDC1ADORA2AADORA1 | |
| SCHEMBL26315304 | 0.69 | CYP2D6 (0.50) | XDHYTHDC1ADORA2API4KAPI4K2B | |
| SCHEMBL3657059 | 0.68 | CSNK1D (0.51) | XDHKDM4ENPC1HTTRAB9A | |
| SCHEMBL28143391 | 0.68 | ADORA2A (0.60) | XDHADORA2ADHFRPI4KAPI4K2B |
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 18 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-20140066620-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | VERASTEM, INC. (US) | 2014-03-06 | — | — | US | disclosed |
| US-8609838-B2 | Pyrimidine substituted purine derivatives | VERASTEM, INC. (US) | 2013-12-17 | — | — | 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 |
| 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 |
| 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-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 |
| US-20100298319-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | S*BIO PTE LTD. (SG) | 2010-11-25 | — | — | US | disclosed |
| EP-2209786-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | S*BIO Pte Ltd (SG) | 2010-07-28 | — | — | EP | disclosed |
| WO-2009045175-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | S*BIO PTE LTD (SG) | 2009-04-09 | — | — | WO | 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 | XDH 423/4885YTHDC1 2070/4885ADORA2A 100/4885 |
| US-20100298319-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | TYMP, PIK3CA, PNP | XDH 423/4885YTHDC1 2070/4885ADORA2A 100/4885 |
| US-20130079512-A1 | PYRIMIDINE SUBSTITUTED PURINE DERIVATIVES | TYMP, PIK3CA, PNP | XDH 423/4885YTHDC1 2070/4885ADORA2A 100/4885 |
“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.