Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 3/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 9/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ROS1 | P08922 | 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 | |
|---|---|---|---|---|
| SCHEMBL5417363 | 0.88 | LRRK2 (0.46) | NUDT1LRRK2ALKKDRCNR2 | |
| SCHEMBL5408668 | 0.82 | LRRK2 (0.55) | LRRK2 | |
| SCHEMBL5413361 | 0.82 | GLO1 (0.53) | NUDT1LRRK2SYKEGFR | |
| SCHEMBL5410531 | 0.80 | LRRK2 (0.44) | NUDT1LRRK2KDRSYKEGFR | |
| SCHEMBL5405462 | 0.77 | STK17A (0.51) | NUDT1LRRK2CNR2 | |
| SCHEMBL5415948 | 0.77 | HDAC3 (0.49) | LRRK2ALKAURKAEGFRROS1 | |
| SCHEMBL5416108 | 0.76 | LRRK2 (0.48) | NUDT1LRRK2SYKEGFR | |
| SCHEMBL29683063 | 0.75 | KDM4E (0.62) | KDM4EHSD17B10 | |
| SCHEMBL3873599 | 0.75 | KDM4E (0.62) | KDM4EHSD17B10 | |
| SCHEMBL5420252 | 0.74 | ALK (0.41) | NUDT1LRRK2ALKEGFRROS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7166599-B2 | Trisubstituted pyrimidines | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-01-23 | — | — | US | disclosed |
| US-20050090486-A1 | Trisubstituted pyrimidines | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2005-04-28 | — | — | US | disclosed |
| US-20030134838-A1 | Trisubstituted pyrimidines | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-07-17 | — | — | 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-20030134838-A1 | Trisubstituted pyrimidines | APP, PSEN1, BACE1 | NUDT1 90/4885LRRK2 619/4885PIK3CA 2423/4885 |
| US-20050090486-A1 | Trisubstituted pyrimidines | APP, BACE1, PSEN1 | NUDT1 48/4885LRRK2 775/4885PIK3CA 2145/4885 |
“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.