Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 7/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 3/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | IGF1R | P08069 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7120320 | 0.80 | KMT2A (0.53) | AURKAAURKBATRKDM4EMEN1 | |
| SCHEMBL20153235 | 0.75 | ADORA2A (0.50) | AURKARAF1BRAFMTORKDM4E | |
| SCHEMBL2205962 | 0.75 | AURKA (0.44) | AURKAPIK3C3AURKBRIPK1KMT2A | |
| SCHEMBL1029670 | 0.72 | MAPT (0.57) | RAF1BRAFMTORATRMEN1 | |
| SCHEMBL3175111 | 0.72 | CRHBP (0.50) | RAF1BRAFPIK3C3MTORATR | |
| SCHEMBL21143838 | 0.70 | CHRM3 (0.38) | RAF1BRAFMTORATRKDM4E | |
| SCHEMBL19708837 | 0.68 | SMN1; SMN2 (0.62) | KDM4EALDH1A1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL12859521 | 0.68 | NUDT1 (0.59) | GAASMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL19805807 | 0.66 | NPC1 (0.54) | RAF1BRAFPIK3C3MTORATR | |
| SCHEMBL29976085 | 0.66 | NPC1 (0.54) | RAF1BRAFPIK3C3MTORATR |
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-7625913-B2 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-01 | — | — | US | disclosed |
| US-20040214814-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2004-10-28 | — | — | US | disclosed |
| US-6664247-B2 | Especially as inhibitors of Aurora-2 and GSK-3, for treating diseases such as cancer, diabetes and Alzheimer's disease. | VERTEX PHARMACEUTICALS INCORPORATED | 2003-12-16 | — | — | US | disclosed |
| US-20030036543-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2003-02-20 | — | — | 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-20040214814-A1 | Pyrazole compounds useful as protein kinase inhibitors | AURKC, AURKA, GSK3B | AURKA 2/4885RAF1 87/4885BRAF 139/4885 |
| US-20030036543-A1 | Pyrazole compounds useful as protein kinase inhibitors | AURKC, AURKA, GSK3B | AURKA 2/4885RAF1 113/4885BRAF 157/4885 |
“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.