Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PI4KA | P42356 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12374209 | 0.83 | MAPK13 (0.38) | SYKFLT3MAPK1L3MBTL1KHK | |
| SCHEMBL12374165 | 0.81 | PIK3CA (0.44) | PIK3CAPIK3CDPIK3CBPI4KAPIK3CG | |
| SCHEMBL12373938 | 0.81 | L3MBTL1 (0.60) | PIK3CAPIK3CDPIK3CBPI4KAPIK3CG | |
| SCHEMBL12373961 | 0.81 | PIK3CA (0.37) | PIK3CAPIK3CDPIK3CBPI4KAPIK3CG | |
| SCHEMBL13854974 | 0.79 | L3MBTL1 (0.38) | PIK3CAPIK3CDPIK3CGSCN9ASCN5A | |
| SCHEMBL21761646 | 0.76 | PDE10A (0.38) | PIK3CAPIK3CDPIK3CBPI4KAPIK3CG | |
| SCHEMBL13495128 | 0.76 | LRRK2 (0.52) | PIK3CAPIK3CDPIK3CBPI4KAPIK3CG | |
| SCHEMBL13354962 | 0.72 | MAPK14 (0.47) | SCN9AL3MBTL1NAMPTKHKALDH1A1 | |
| SCHEMBL12374194 | 0.72 | LRRK2 (0.39) | PIK3CAPDE10AL3MBTL1NAMPTKHK | |
| SCHEMBL13854977 | 0.72 | TTBK1 (0.39) | PIK3CAPIK3CDPIK3CBPIK3CGL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180000803-A1 | (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3-(METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS | MERCK SHARP & DOHME CORP. (US) | 2018-01-04 | — | — | US | disclosed |
| US-20170362202-A1 | (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3-(METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS | MERCK SHARP & DOHME CORP. (US) | 2017-12-21 | — | — | US | disclosed |
| US-8716483-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-05-06 | — | — | US | disclosed |
| US-20110189192-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME LLC | 2011-08-04 | — | — | 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 (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-20170362202-A1 | (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3-(METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS | HK1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HINT1 | PIK3CA 1892/4885PIK3CD 2177/4885PIK3CB 1952/4885 |
| US-20180000803-A1 | (S)-N-(3-(6-ISOPROPOXYPYRIDIN-3-YL)-1H-INDAZOL-5-YL)-1-(2-(4-(4-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL)-2-OXOETHYL)-3-(METHYLTHIO)PYRROLIDINE-3-CARBOXAMIDE COMPOSITIONS FOR PHARMACEUTICAL PREPARATIONS | S100P, TSLP, TPSAB1 | PIK3CA 725/4885PIK3CD 555/4885PIK3CB 614/4885 |
| US-20110189192-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MAPK1, MAPK4, MAPK10 | PIK3CA 162/4885PIK3CD 164/4885PIK3CB 194/4885 |
“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.