Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 14/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 12/20 | 0.48 |
| ▸ | CDK2 | P24941 | 12/20 | 0.48 |
| ▸ | CCNA1 | P78396 | 12/20 | 0.48 |
| ▸ | BMPR1B | O00238 | 2/20 | 0.38 |
| ▸ | BMPR1A | P36894 | 2/20 | 0.38 |
| ▸ | ACVR1B | P36896 | 2/20 | 0.38 |
| ▸ | ACVRL1 | P37023 | 2/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.38 |
| ▸ | BMP4 | P12644 | 2/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6894237 | 0.94 | CHEK1 (0.47) | CHEK1CCNA2CDK2CCNA1BMPR1B | |
| SCHEMBL6894225 | 0.89 | CHEK1 (0.42) | CHEK1CCNA2CDK2CCNA1ACVR1 | |
| SCHEMBL7879287 | 0.86 | CHEK1 (0.47) | CHEK1CCNA2CDK2CCNA1BMPR1B | |
| SCHEMBL6891716 | 0.84 | CHEK1 (0.45) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL10280501 | 0.84 | CHEK1 (0.53) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL2679690 | 0.84 | CHEK1 (0.53) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL6893629 | 0.83 | CHEK1 (0.63) | CHEK1CCNA2CDK2CCNA1SRC | |
| SCHEMBL6891599 | 0.82 | CHEK1 (0.51) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL6894561 | 0.82 | CHEK1 (0.48) | CHEK1CCNA2CDK2CCNA1SRC | |
| SCHEMBL7874438 | 0.81 | CHEK1 (0.42) | CHEK1CCNA2CDK2CCNA1ACVR1 |
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 5 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 |
| WO-2010118207-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | SCHERING CORPORATION (US) | 2010-10-14 | — | — | 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-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.