Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.54 |
| ▸ | NAMPT | P43490 | 1/20 | 0.53 |
| ▸ | GRM1 | Q13255 | 11/20 | 0.49 |
| ▸ | GRM5 | P41594 | 11/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.44 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.44 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2811392 | 0.90 | PDK4 (0.60) | PDK4NAMPTGRM1GRM5CYP11B2 | |
| SCHEMBL7831576 | 0.86 | PDK4 (0.58) | PDK4NAMPTGRM1GRM5CYP11B2 | |
| SCHEMBL1364792 | 0.85 | PDK4 (0.57) | PDK4NAMPTGRM1GRM5CYP11B2 | |
| SCHEMBL29914645 | 0.85 | PDK4 (0.57) | PDK4NAMPTGRM1GRM5CYP11B2 | |
| SCHEMBL2954198 | 0.84 | NAMPT (0.54) | PDK4NAMPTGRM1GRM5CYP11B2 | |
| SCHEMBL2239831 | 0.84 | NAMPT (0.66) | PDK4NAMPTGRM1GRM5HTR6 | |
| SCHEMBL13261659 | 0.84 | PDK4 (0.56) | PDK4NAMPTGRM1GRM5CYP11B2 | |
| SCHEMBL30014227 | 0.84 | PDK4 (0.56) | PDK4NAMPTGRM1GRM5CYP11B2 | |
| SCHEMBL3988457 | 0.84 | PDK4 (0.56) | PDK4NAMPTGRM1GRM5CYP11B2 | |
| SCHEMBL902871 | 0.84 | PDK4 (0.56) | PDK4NAMPTGRM1GRM5CYP11B2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090030012-A1 | Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators | MERCK SHARP & DOHME CORP. | 2009-01-29 | — | — | US | disclosed |
| US-20090030012-A1 | Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators | MERCK SHARP & DOHME CORP. | 2009-01-29 | — | — | US | disclosed |
| US-20090030012-A1 | Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators | MERCK SHARP & DOHME CORP. | 2009-01-29 | — | — | US | disclosed |
| WO-2007100610-A2 | PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2007-09-07 | — | — | 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-20090030012-A1 | Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators | CXCR3, CXCR1, CXCR5 | PDK4 647/4885NAMPT 765/4885GRM1 337/4885 |
“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.