Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 8/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | STK4 | Q13043 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 4/20 | 0.40 |
| ▸ | CDK9 | P50750 | 4/20 | 0.40 |
| ▸ | CDK1 | P06493 | 3/20 | 0.40 |
| ▸ | CDK7 | P50613 | 3/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.40 |
| ▸ | KDR | P35968 | 3/20 | 0.40 |
| ▸ | CCNH | P51946 | 2/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.40 |
| ▸ | CDK4 | P11802 | 2/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1869782 | 0.91 | IKBKB (0.46) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL3504058 | 0.85 | IKBKB (0.47) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1570442 | 0.85 | IKBKB (0.47) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1570742 | 0.84 | CA2 (0.50) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1570986 | 0.84 | IKBKB (0.51) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL13251943 | 0.83 | IKBKB (0.48) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1868004 | 0.83 | IKBKB (0.45) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL3503813 | 0.81 | BMPR2 (0.44) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL13252784 | 0.80 | IKBKB (0.49) | IKBKBCA2CA1CA9CA12 | |
| SCHEMBL1570853 | 0.80 | CA2 (0.53) | IKBKBCA2CA1CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008079988-A9 | QUINAZOLINES FOR PDK1 INHIBITION | NOVARTIS AG (CH) | 2011-05-12 | — | — | WO | claimed |
| US-20100216767-A1 | QUINAZOLINES FOR PDK1 INHIBITION | AIKAWA MINA | 2010-08-26 | — | — | US | claimed |
| US-20100216767-A1 | QUINAZOLINES FOR PDK1 INHIBITION | AIKAWA MINA | 2010-08-26 | — | — | US | disclosed |
| US-20100216767-A1 | QUINAZOLINES FOR PDK1 INHIBITION | AIKAWA MINA | 2010-08-26 | — | — | US | disclosed |
| US-20100121052-A1 | Novel compounds for treating proliferative diseases | JAIN RAMA | 2010-05-13 | — | — | 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-20100216767-A1 | QUINAZOLINES FOR PDK1 INHIBITION | PDK1, PDK2, PDK3 | IKBKB 1011/4885CA2 3579/4885CA1 4719/4885 |
| US-20100121052-A1 | Novel compounds for treating proliferative diseases | PDK1, PDK2, PDK3 | IKBKB 942/4885CA2 3991/4885CA1 4816/4885 |
“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.