Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK10 | P53779 | 6/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 3/20 | 0.35 |
| ▸ | CSNK1E | P49674 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | FLT4 | P35916 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5356236 | 0.89 | BRAF (0.40) | MAPK10CSNK1DCSNK1EMAPK14KCNH2 | |
| SCHEMBL5358776 | 0.86 | PIK3C3 (0.37) | MAPK10MAPK8MAPK9MAPK14KCNH2 | |
| SCHEMBL5367546 | 0.81 | PDE3B (0.38) | MAPK10MAPK14KCNH2BRAFPDE4A | |
| SCHEMBL5347539 | 0.81 | FYN (0.37) | MAPK10CYP3A4CYP2D6FLT4MAPK8 | |
| SCHEMBL5354755 | 0.81 | PIK3C3 (0.38) | MAPK10MAPK8MAPK9KCNH2 | |
| SCHEMBL5355647 | 0.80 | PDE3B (0.38) | MAPK10CSNK1DCSNK1EMAPK14KCNH2 | |
| SCHEMBL5347090 | 0.80 | DYRK1A (0.38) | CA12CA9KCNH2PTGS2SRC | |
| SCHEMBL5349463 | 0.78 | CSNK1D (0.43) | MAPK10CSNK1DCSNK1ECYP3A4CYP2D6 | |
| SCHEMBL5360406 | 0.78 | MAPK3 (0.39) | MAPK10BRAFAKR1B1 | |
| Sulfuric Acid SCHEMBL5360109 | 0.78 | MAPK10 (0.39) | MAPK10CSNK1DCSNK1ECYP3A4CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1553096-B1 | PYRAZOLE COMPOUNDS | UBE INDUSTRIES (JP) | 2012-10-31 | — | — | EP | disclosed |
| CN-100519552-C | Pyrazole compounds | UBE INDUSTRIES (JP) | 2009-07-29 | — | — | CN | disclosed |
| US-7294625-B2 | Pyrazole compounds | UBE INDUSTRIES, LTD. (JP) | 2007-11-13 | — | — | US | disclosed |
| US-20060063934-A1 | 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis | UBE INDUSTRIES, LTD. (JP) | 2006-03-23 | — | — | US | disclosed |
| CN-1684953-A | Pyrazole compounds | UBE INDUSTRIES (JP) | 2005-10-19 | — | — | CN | disclosed |
| EP-1553096-A1 | PYRAZOLE COMPOUNDS | Ube Industries, Ltd. (JP) | 2005-07-13 | — | — | EP | 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-20060063934-A1 | 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis | CNKSR1, MAPK1, MAPK3 | MAPK10 51/4885CA12 4878/4885CA9 4162/4885 |
“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.