Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 5/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.34 |
| ▸ | CDK2 | P24941 | 5/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 2/20 | 0.32 |
| ▸ | ATRIP | Q8WXE1 | 2/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 3/20 | 0.32 |
| ▸ | FGFR2 | P21802 | 3/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.31 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6891822 | 0.92 | CHEK1 (0.35) | CHEK1CCNA2CDK2CCNA1PARP10 | |
| SCHEMBL7883671 | 0.90 | MAPK14 (0.34) | S1PR1MAPK14PIK3CDPARP10PARP11 | |
| SCHEMBL6894307 | 0.85 | CHEK1 (0.34) | CHEK1CCNA2CDK2CCNA1PIK3CD | |
| SCHEMBL6894405 | 0.82 | SLC2A1 (0.34) | CHEK1CCNA2CDK2CCNA1EGFR | |
| SCHEMBL6891736 | 0.80 | PARP10 (0.38) | CHEK1CCNA2CDK2CCNA1PARP10 | |
| SCHEMBL6891834 | 0.80 | CHEK1 (0.40) | CHEK1CCNA2CDK2CCNA1PIK3CD | |
| SCHEMBL2679803 | 0.80 | PARP10 (0.39) | CHEK1CCNA2CDK2CCNA1PARP10 | |
| SCHEMBL6893430 | 0.80 | NPC1 (0.44) | PIK3CDATRATRIPMEN1NPC1 | |
| SCHEMBL6893394 | 0.80 | CHEK1 (0.37) | CHEK1CCNA2CDK2CCNA1EGFR | |
| SCHEMBL6894275 | 0.79 | EGFR (0.35) | CHEK1CCNA2CDK2CCNA1PIK3CD |
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 | CHEK1 2755/4885CCNA2 2265/4885CDK2 457/4885 |
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MTOR, RICTOR, RPTOR | CHEK1 461/4885CCNA2 2476/4885CDK2 165/4885 |
“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.