Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF known ✓ | P15056 | 3/20 | 0.38 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 6/20 | 0.40 |
| ▸ | CSNK1E | P49674 | 6/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 5/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 5/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 5/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.36 |
| ▸ | SRC | P12931 | 2/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL1957450 | 0.94 | CSNK1D (0.41) | CSNK1DCSNK1EKCNH2BRAFMAPK3 | |
| SCHEMBL1957266 | 0.85 | CSNK1D (0.41) | CSNK1DCSNK1EKCNH2BRAFMAPK3 | |
| SCHEMBL5353194 | 0.85 | BRAF (0.41) | CSNK1DCSNK1EKCNH2BRAFMAPK3 | |
| SCHEMBL5353375 | 0.84 | PDE3B (0.43) | CSNK1DCSNK1EKCNH2BRAFMAPK3 | |
| SCHEMBL5356281 | 0.84 | SMN1; SMN2 (0.38) | KCNH2BRAFMAPK3MAPK1MAPK14 | |
| SCHEMBL5348807 | 0.84 | BUB1 (0.38) | CSNK1DCSNK1EKCNH2BRAFMAPK3 | |
| SCHEMBL5352280 | 0.84 | PDE3B (0.43) | CSNK1DCSNK1EKCNH2BRAFMAPK3 | |
| SCHEMBL5354405 | 0.83 | PDE3B (0.42) | CSNK1DCSNK1EKCNH2BRAFMAPK3 | |
| SCHEMBL5352176 | 0.82 | MAPK14 (0.46) | CSNK1DKCNH2MAPK14MAPK13MAPK12 | |
| SCHEMBL5353683 | 0.82 | PDE3B (0.39) | CSNK1DCSNK1EKCNH2BRAFMAPK3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110166350-A1 | NOVEL CRYSTAL FORMS OF 4-(2-AMINOPYRIDIN-4-YL)-3-(4-FLUOROPHENYL)-1-(1,4,5,6-TETRAHYDRO-6-OXOPYRIDAZIN-3-YL)-1H-PYRAZOLE METHANESULFONATE AND METHODS FOR THEIR PREPARATION | UBE INDUSTRIES, LTD. (JP) | 2011-07-07 | — | — | US | claimed |
| EP-2332932-A1 | NOVEL CRYSTAL FORMS OF 4-(2-AMINOPYRIDIN-4-YL)-3-(4 FLUORO- PHENYL)-1-(1,4,5,6-TETRAHYDRO-6-OXOPYRIDAZIN-3-YL)-1H-PYRA-ZOLE METHANESULFONATE AND PROCESS FOR PRODUCTION OF SAME | Ube Industries, Ltd. (JP) | 2011-06-15 | — | — | EP | claimed |
| EP-1553096-B1 | PYRAZOLE COMPOUNDS | UBE INDUSTRIES (JP) | 2012-10-31 | — | — | EP | disclosed |
| CN-102149709-A | Novel crystal forms of 4-(2-aminopyridin-4-yl)-3-(4-fluorophenyl)-1-(1,4,5,6-tetrahydro-6-oxopyridazin-3-yl)-1H-pyrazole methanesulfonate and methods for their preparation | UBE INDUSTRIES | 2011-08-10 | — | — | CN | disclosed |
| CN-102149709-A | Novel crystal forms of 4-(2-aminopyridin-4-yl)-3-(4-fluorophenyl)-1-(1,4,5,6-tetrahydro-6-oxopyridazin-3-yl)-1H-pyrazole methanesulfonate and methods for their preparation | UBE INDUSTRIES | 2011-08-10 | — | — | CN | disclosed |
| US-20110166350-A1 | NOVEL CRYSTAL FORMS OF 4-(2-AMINOPYRIDIN-4-YL)-3-(4-FLUOROPHENYL)-1-(1,4,5,6-TETRAHYDRO-6-OXOPYRIDAZIN-3-YL)-1H-PYRAZOLE METHANESULFONATE AND METHODS FOR THEIR PREPARATION | UBE INDUSTRIES, LTD. (JP) | 2011-07-07 | — | — | US | disclosed |
| US-20110166350-A1 | NOVEL CRYSTAL FORMS OF 4-(2-AMINOPYRIDIN-4-YL)-3-(4-FLUOROPHENYL)-1-(1,4,5,6-TETRAHYDRO-6-OXOPYRIDAZIN-3-YL)-1H-PYRAZOLE METHANESULFONATE AND METHODS FOR THEIR PREPARATION | UBE INDUSTRIES, LTD. (JP) | 2011-07-07 | — | — | US | disclosed |
| EP-2332932-A1 | NOVEL CRYSTAL FORMS OF 4-(2-AMINOPYRIDIN-4-YL)-3-(4 FLUORO- PHENYL)-1-(1,4,5,6-TETRAHYDRO-6-OXOPYRIDAZIN-3-YL)-1H-PYRA-ZOLE METHANESULFONATE AND PROCESS FOR PRODUCTION OF SAME | Ube Industries, Ltd. (JP) | 2011-06-15 | — | — | EP | disclosed |
| EP-2332932-A1 | NOVEL CRYSTAL FORMS OF 4-(2-AMINOPYRIDIN-4-YL)-3-(4 FLUORO- PHENYL)-1-(1,4,5,6-TETRAHYDRO-6-OXOPYRIDAZIN-3-YL)-1H-PYRA-ZOLE METHANESULFONATE AND PROCESS FOR PRODUCTION OF SAME | Ube Industries, Ltd. (JP) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010029938-A1 | NOVEL CRYSTAL FORMS OF 4-(2-AMINOPYRIDIN-4-YL)-3-(4–FLUORO- PHENYL)-1-(1,4,5,6-TETRAHYDRO-6-OXOPYRIDAZIN-3-YL)-1H-PYRA-ZOLE METHANESULFONATE AND PROCESS FOR PRODUCTION OF SAME | 宇部興産株式会社 (JP) | 2010-03-18 | — | — | WO | 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 |
| 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 (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-20110166350-A1 | NOVEL CRYSTAL FORMS OF 4-(2-AMINOPYRIDIN-4-YL)-3-(4-FLUOROPHENYL)-1-(1,4,5,6-TETRAHYDRO-6-OXOPYRIDAZIN-3-YL)-1H-PYRAZOLE METHANESULFONATE AND METHODS FOR THEIR PREPARATION | CYP4B1, CYP3A5, CYP2F1 | BRAF 2131/4885KDR 3588/4885CSNK1D 1871/4885 |
| 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 | BRAF 19/4885KDR 813/4885CSNK1D 175/4885 |
“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.