Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | F12 | P00748 | 3/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | SPR | P35270 | 3/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 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 | |
|---|---|---|---|---|
| SCHEMBL4004504 | 0.83 | CHEK1 (0.50) | CHEK1NPC1RAB9APARP1GRIN2D | |
| SCHEMBL5132256 | 0.73 | CHEK1 (0.33) | CHEK1NPC1RAB9A | |
| SCHEMBL4018879 | 0.72 | CHEK1 (0.51) | CHEK1PARP1KIF11 | |
| SCHEMBL4023100 | 0.69 | CHEK1 (0.33) | CHEK1RAB9A | |
| SCHEMBL4014749 | 0.69 | CHEK1 (0.33) | CHEK1RAB9A | |
| SCHEMBL4017149 | 0.67 | CHEK1 (1.00) | CHEK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL30273159 | 0.63 | PARP1 (0.42) | PARP1GRIN1GRIN2BRETKDR | |
| SCHEMBL29203625 | 0.63 | PARP1 (0.42) | PARP1GRIN1GRIN2BRETKDR | |
| SCHEMBL16373419 | 0.60 | ELANE (0.52) | NPC1RAB9AESR2ELANE | |
| SCHEMBL29203631 | 0.60 | ELANE (0.37) | PARP1ELANE |
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-20080114016-A1 | Inhibitors of Checkpoint Kinases | MERCK SHARP & DOHME CORP. | 2008-05-15 | — | — | US | disclosed |
| US-20080114016-A1 | Inhibitors of Checkpoint Kinases | MERCK SHARP & DOHME CORP. | 2008-05-15 | — | — | US | disclosed |
| EP-1835918-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006074281-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2006-07-13 | — | — | 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-20080114016-A1 | Inhibitors of Checkpoint Kinases | CHEK1, CHEK2, BUB1B | CHEK1 1/4885NPC1 4187/4885RAB9A 3096/4885 |
“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.