Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 5/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 4/20 | 0.34 |
| ▸ | FGFR2 | P21802 | 4/20 | 0.34 |
| ▸ | MTOR | P42345 | 4/20 | 0.34 |
| ▸ | AKT1 | P31749 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7879969 | 0.89 | CHEK1 (0.36) | PIK3CACHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL6894864 | 0.88 | PIK3CA (0.38) | PIK3CACHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL6893362 | 0.80 | BRD4 (0.34) | PIK3CACHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL6891730 | 0.80 | AKT1 (0.35) | PIK3CACHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL585053 | 0.79 | ADORA2A (0.45) | PIK3CAMTORNPC1MEN1KMT2A | |
| SCHEMBL6894370 | 0.79 | ALDH1A1 (0.40) | CHEK1CCNA2CDK2CCNA1EGFR | |
| SCHEMBL6893675 | 0.79 | CHEK1 (0.37) | PIK3CACHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL10280633 | 0.78 | AKT1 (0.35) | PIK3CAEGFRFGFR2MTORAKT1 | |
| SCHEMBL7883380 | 0.78 | MEN1 (0.36) | PIK3CACHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL6894351 | 0.78 | PARP10 (0.37) | PIK3CACHEK1CCNA2CDK2CCNA1 |
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 | PIK3CA 2681/4885CHEK1 2755/4885CCNA2 2265/4885 |
| US-20120114739-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS | MTOR, RICTOR, RPTOR | PIK3CA 34/4885CHEK1 461/4885CCNA2 2476/4885 |
“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.