Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 4/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.45 |
| ▸ | CDK9 | P50750 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14081603 | 0.84 | PKM (0.51) | CYP1A2CLK4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL14081601 | 0.81 | AURKA (0.61) | CYP1A2CLK4CYP2C9MAPK1 | |
| SCHEMBL14081614 | 0.80 | AURKA (0.47) | CYP1A2CLK4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL14081613 | 0.78 | CYP1A2 (0.52) | CYP1A2CLK4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL5752089 | 0.78 | MAPK1 (0.41) | MAPK1KMO | |
| SCHEMBL2305280 | 0.77 | TP53 (0.74) | CYP1A2CLK4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL14081608 | 0.77 | MAPK1 (0.54) | MAPK1 | |
| SCHEMBL14081677 | 0.76 | AURKA (0.64) | MAPK1 | |
| SCHEMBL4796151 | 0.76 | CAMK2D (0.47) | CLK4MAPK1CDK9 | |
| SCHEMBL22458668 | 0.75 | ABL1 (0.70) | CYP1A2CLK4CYP2C9CYP2C19CYP2D6 |
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-7407962-B2 | Heteroaryl compounds useful as inhibitors or protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-08-05 | — | — | US | disclosed |
| US-7407962-B2 | Heteroaryl compounds useful as inhibitors or protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-08-05 | — | — | US | disclosed |
| US-7407962-B2 | Heteroaryl compounds useful as inhibitors or protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-08-05 | — | — | US | disclosed |
| EP-1611125-A1 | HETEROARYL SUBSTITUTED PYROLLS USEFUL AS INHIBITORS OF PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2006-01-04 | — | — | EP | disclosed |
| US-20040214928-A1 | Heteroaryl compounds useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2004-10-28 | — | — | US | disclosed |
| WO-2004072063-A1 | HETEROARYL SUBSTITUTED PYROLLS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-08-26 | — | — | 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-20040214928-A1 | Heteroaryl compounds useful as inhibitors of protein kinases | GSK3A, CDK2, GSK3B | CYP1A2 3464/4885CLK4 454/4885CYP2C9 4370/4885 |
“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.