Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK1 | P51617 | 2/20 | 0.40 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 3/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.34 |
| ▸ | AKT1 | P31749 | 2/20 | 0.34 |
| ▸ | MTOR | P42345 | 2/20 | 0.34 |
| ▸ | LCK | P06239 | 2/20 | 0.34 |
| ▸ | HCK | P08631 | 2/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6891513 | 0.84 | FGFR2 (0.37) | SMOCHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL6893193 | 0.84 | PDE4B (0.40) | CHEK1CCNA2CDK2CCNA1PIK3CA | |
| SCHEMBL6894853 | 0.83 | CHEK1 (0.37) | CHEK1CCNA2CDK2CCNA1PIK3CA | |
| SCHEMBL6893425 | 0.83 | PIM1 (0.38) | CHEK1CCNA2CDK2CCNA1PIK3CA | |
| SCHEMBL6893422 | 0.82 | FGFR2 (0.40) | CHEK1CCNA2CDK2CCNA1PIK3CA | |
| SCHEMBL6893491 | 0.82 | EGFR (0.39) | CHEK1CCNA2CDK2CCNA1PIK3CA | |
| SCHEMBL6894496 | 0.82 | NEK2 (0.41) | SMOPIK3CAEGFRFGFR2AKT1 | |
| SCHEMBL6893587 | 0.81 | EGFR (0.40) | CHEK1CCNA2CDK2CCNA1PIK3CA | |
| SCHEMBL6893429 | 0.81 | RET (0.40) | CHEK1CCNA2CDK2CCNA1NPY5R | |
| SCHEMBL6893394 | 0.81 | CHEK1 (0.37) | CHEK1CCNA2CDK2CCNA1EGFR |
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-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-10 | — | — | US | disclosed |
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-10 | — | — | US | disclosed |
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2011-03-03 | — | — | US | disclosed |
| US-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2011-03-03 | — | — | US | 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-20110054013-A1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | BACE1, BACE2, PSEN1 | IRAK1 3873/4885SMO 2067/4885CHEK1 2755/4885 |
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MTOR, RICTOR, RPTOR | IRAK1 834/4885SMO 2199/4885CHEK1 461/4885 |
“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.