Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 3/20 | 0.51 |
| ▸ | CFTR | P13569 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.40 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9383398 | 0.84 | CYP2D6 (0.58) | XDHCFTRCYP2D6CYP2C9TSHR | |
| SCHEMBL30331960 | 0.84 | CYP2D6 (0.58) | XDHCFTRCYP2D6CYP2C9TSHR | |
| SCHEMBL30677327 | 0.84 | XDH (0.54) | XDHCFTRCYP2D6CYP2C9TSHR | |
| SCHEMBL30677263 | 0.83 | CFTR (0.47) | XDHCFTRCYP2D6CYP2C9TSHR | |
| SCHEMBL945799 | 0.82 | XDH (0.55) | XDHCFTRCYP2D6CYP2C9TSHR | |
| SCHEMBL17815678 | 0.81 | CFTR (0.60) | XDHCFTRCYP2D6CYP2C9TSHR | |
| SCHEMBL30677419 | 0.80 | HSP90AA1 (0.38) | XDHCFTRCYP2D6CYP2C9TSHR | |
| SCHEMBL21638052 | 0.79 | PI4KA (0.55) | XDHGRM1PTGS2P2RX7PTGS1 | |
| SCHEMBL17815681 | 0.79 | CFTR (0.79) | XDHCFTRCYP2D6CYP2C9TSHR | |
| SCHEMBL17815603 | 0.78 | CFTR (0.56) | XDHCFTRCYP2D6CYP2C9TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2310391-A1 | PYRAZINE SUBSTITUTED PURINES | S*BIO Pte Ltd (SG) | 2011-04-20 | — | — | EP | disclosed |
| WO-2009157880-A1 | PYRAZINE SUBSTITUTED PURINES | S*BIO PTE LTD (SG) | 2009-12-30 | — | — | WO | disclosed |
| US-20070191380-A1 | KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION | IRM LLC (BM) | 2007-08-16 | — | — | US | disclosed |
| US-7176312-B2 | Kinase inhibitor scaffolds and methods for their preparation | THE SCRIPPS RESEARCH INSTITUTE (US) | 2007-02-13 | — | — | US | disclosed |
| EP-1578722-A2 | KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION | IRM LLC (BM) | 2005-09-28 | — | — | EP | disclosed |
| US-20030191312-A1 | Kinase inhibitor scaffolds and methods for their preparation | IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) | 2003-10-09 | — | — | US | disclosed |
| WO-2003031406-A2 | KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION | IRM LLC (BM) | 2003-04-17 | — | — | 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 (2 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-20030191312-A1 | Kinase inhibitor scaffolds and methods for their preparation | MAP2K2, MAP2K1, MAP2K7 | XDH 1581/4885CFTR 4885/4885CYP2D6 2366/4885 |
| US-20070191380-A1 | KINASE INHIBITOR SCAFFOLDS AND METHODS FOR THEIR PREPARATION | MAP2K2, MAP2K1, MAP2K7 | XDH 1581/4885CFTR 4885/4885CYP2D6 2366/4885 |
“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.