Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 1/20 | 0.53 |
| ▸ | FEN1 | P39748 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL15979733 | 0.90 | CES2 (0.62) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL10576213 | 0.82 | ERCC5 (0.59) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL30098821 | 0.81 | ERCC5 (0.53) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL15979727 | 0.81 | NR4A2 (0.59) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL10792392 | 0.81 | ERCC5 (0.53) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL4024952 | 0.81 | ERCC5 (0.53) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL5257138 | 0.80 | ERCC5 (0.56) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL5257144 | 0.80 | ERCC5 (0.56) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL8676987 | 0.80 | ERCC5 (0.56) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL633349 | 0.78 | ERCC5 (0.55) | ERCC5FEN1CES2CES1ALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7449472-B2 | Methods of inhibiting p38 with substituted bicyclic pyrimidines | ROCHE PALO ALTO LLC (US) | 2008-11-11 | — | — | US | disclosed |
| US-7439247-B2 | Bicyclic pyridine and pyrimidine P38 kinase inhibitors | ROCHE PALO ALTOP LLC (US) | 2008-10-21 | — | — | US | disclosed |
| EP-1485390-B1 | BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-10-08 | — | — | EP | disclosed |
| US-7091347-B2 | Bicyclic pyridine and pyrimidine p38 kinase inhibitors | ROCHE PALO ALTO LLC (US) | 2006-08-15 | — | — | US | disclosed |
| US-20060084803-A1 | Bicyclic pyridine and pyrimidine P38 kinase inhibitors | CHEN JIAN J | 2006-04-20 | — | — | US | disclosed |
| US-20050288312-A1 | Bicyclic pyridine and pyrimidine p38 kinase inhibitors | CHEN JIAN J | 2005-12-29 | — | — | US | disclosed |
| EP-1485390-A1 | BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS | F. Hoffman-la Roche AG (CH) | 2004-12-15 | — | — | EP | disclosed |
| US-20030207900-A1 | Bicyclic pyridine and pyrimidine p38 kinase inhibitors | ROCHE PALO ALTO LLC | 2003-11-06 | — | — | US | disclosed |
| WO-2003074530-A1 | BICYCLIC PYRIDINE AND PYRIMIDINE P38 KINASE INHIBITORS | F. HOFFMAN-LA ROCHE AG (CH) | 2003-09-12 | — | — | 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 (3 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-20050288312-A1 | Bicyclic pyridine and pyrimidine p38 kinase inhibitors | MAPK1, MAP3K1, MAP3K8 | ERCC5 3051/4885FEN1 3744/4885CES2 3710/4885 |
| US-20030207900-A1 | Bicyclic pyridine and pyrimidine p38 kinase inhibitors | MAPK1, MAP3K1, MAPKAPK2 | ERCC5 3079/4885FEN1 2916/4885CES2 4128/4885 |
| US-20060084803-A1 | Bicyclic pyridine and pyrimidine P38 kinase inhibitors | MAPK1, MAP3K1, MAP3K8 | ERCC5 3051/4885FEN1 3744/4885CES2 3710/4885 |
“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.