Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 14/20 | 1.00 |
| ▸ | CA1 | P00915 | 5/20 | 0.66 |
| ▸ | CA2 | P00918 | 5/20 | 0.66 |
| ▸ | CA9 | Q16790 | 5/20 | 0.66 |
| ▸ | CA12 | O43570 | 4/20 | 0.66 |
| ▸ | CA4 | P22748 | 1/20 | 0.58 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.52 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.52 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.52 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | CCND3 | P30281 | 1/20 | 0.52 |
| ▸ | FLT3 | P36888 | 1/20 | 0.52 |
| ▸ | CDK9 | P50750 | 1/20 | 0.52 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.52 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3520848 | 0.95 | IKBKB (1.00) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL11297594 | 0.88 | IKBKB (0.78) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL11296744 | 0.85 | IKBKB (0.73) | IKBKBCCNT1CDK1CCNB1CCNA2 | |
| SCHEMBL11299366 | 0.83 | IKBKB (0.71) | IKBKBCCNT1CDK1CCNB1CCNA2 | |
| SCHEMBL13439677 | 0.83 | IKBKB (0.71) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL11299433 | 0.83 | IKBKB (0.71) | IKBKBCCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL11296762 | 0.83 | IKBKB (0.71) | IKBKBCCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL11296777 | 0.83 | IKBKB (0.71) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL11312691 | 0.82 | IKBKB (0.70) | IKBKBCA1CA2CA9CA12 | |
| SCHEMBL2434868 | 0.80 | CDK2 (0.74) | IKBKBCCNT1CDK1CCNB1CCNA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8288400-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | disclosed |
| US-8017619-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-13 | — | — | US | disclosed |
| US-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-04 | — | — | US | disclosed |
| US-7700609-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-20 | — | — | US | disclosed |
| EP-1692140-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-12-09 | — | — | EP | 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-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | IKBKB 540/4885CA1 4066/4885CA2 2721/4885 |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | IKBKB 540/4885CA1 4066/4885CA2 2721/4885 |
“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.