Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.41 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15309636 | 0.80 | MAPK1 (0.48) | CHEK1METMAPK1PIM1MKNK1 | |
| SCHEMBL20150132 | 0.79 | ALOX5AP (0.50) | LRRK2AURKAAURKBINCENPTTK | |
| SCHEMBL30662136 | 0.78 | IKBKE (0.46) | AURKBIKBKETBK1METMAPK1 | |
| SCHEMBL14784060 | 0.77 | GPR55 (0.56) | LRRK2GPR55CDK2PIM1PIM2 | |
| SCHEMBL13807047 | 0.76 | LRRK2 (0.45) | LRRK2AURKAAURKBINCENPTTK | |
| SCHEMBL15594544 | 0.76 | MAP4K1 (0.43) | PIM1PIM2MAP4K1PIK3CDPIK3CA | |
| SCHEMBL2220124 | 0.75 | AXL (0.46) | LRRK2AURKAAURKBINCENPTTK | |
| SCHEMBL26953500 | 0.75 | CHEK1 (0.42) | LRRK2AURKAAURKBINCENPTTK | |
| SCHEMBL2698114 | 0.74 | ERN1 (0.45) | LRRK2GPR55METMAPK1PIK3CA | |
| SCHEMBL24921579 | 0.72 | CHEK1 (0.47) | LRRK2AURKAAURKBINCENPTTK |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8563561-B2 | 3-(3-pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives | MERCK PATENT GMBH (DE) | 2013-10-22 | — | — | US | disclosed |
| US-8563561-B2 | 3-(3-pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives | MERCK PATENT GMBH (DE) | 2013-10-22 | — | — | US | disclosed |
| EP-2358715-B1 | 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2012-12-26 | — | — | EP | disclosed |
| EP-2358715-B1 | 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2012-12-26 | — | — | EP | disclosed |
| US-20110257172-A1 | 3-(3-Pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG | 2011-10-20 | — | — | US | disclosed |
| US-20110257172-A1 | 3-(3-Pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG | 2011-10-20 | — | — | US | disclosed |
| EP-2358715-A1 | 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIMIDINE DERIVATIVES | Merck Patent GmbH (DE) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010069441-A1 | 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2010-06-24 | — | — | 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-20110257172-A1 | 3-(3-Pyrimidine-2-yl-benzyl)-[1,2,4] triazolo[4,3-b]pyrimidine derivatives | RET, JAK2, TYRO3 | LRRK2 623/4885AURKA 115/4885AURKB 102/4885 |
“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.