Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | FBP1 | P09467 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12901021 | 0.88 | MET (0.52) | SMN1; SMN2NPC1RAB9AKDRTSHR | |
| SCHEMBL1230852 | 0.84 | ROCK1 (0.49) | SMN1; SMN2CYP2D6CYP2C9ROCK1KMT2A | |
| SCHEMBL12900654 | 0.83 | ROCK1 (0.47) | RAB9AROCK1POLB | |
| SCHEMBL12901016 | 0.82 | ABCB1 (0.52) | KDRROCK1KMT2AALDH1A1MEN1 | |
| SCHEMBL12900698 | 0.82 | AKT1 (0.49) | ROCK1MAPK1 | |
| SCHEMBL1229818 | 0.82 | AKT1 (0.49) | ROCK1MAPK1 | |
| SCHEMBL1231765 | 0.81 | AKT1 (0.49) | ROCK1MAPK1 | |
| SCHEMBL12900696 | 0.81 | THRB (0.46) | SMN1; SMN2CYP2D6ROCK1KMT2ATNIK | |
| SCHEMBL7993463 | 0.80 | TNNI3K (0.60) | SMN1; SMN2NPC1RAB9ATSHRROCK1 | |
| SCHEMBL12900384 | 0.80 | KDR (0.51) | SMN1; SMN2RAB9ACYP2D6CYP2C9KDR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2462141-B1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2017-09-27 | — | — | EP | disclosed |
| US-9023847-B2 | Azaheterocyclic compounds | MERCK PATENT GMBH (DE) | 2015-05-05 | — | — | US | disclosed |
| US-20120277228-A1 | Novel Azaheterocyclic Compounds | MERCK PATENT GMBH (DE) | 2012-11-01 | — | — | US | disclosed |
| WO-2011017009-A1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2011-02-10 | — | — | 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-20120277228-A1 | Novel Azaheterocyclic Compounds | PCNA, MCL1, MYC | SMN1; SMN2 3720/4885NPC1 1174/4885RAB9A 1480/4885 |
“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.