Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Vamotinib. 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 | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 15/20 | 0.76 |
| ▸ | KIT known ✓ | P10721 | 6/20 | 0.68 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.66 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.65 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.65 |
| ▸ | BCR known ✓ | P11274 | 1/20 | 0.65 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.65 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.65 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.65 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.65 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.65 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.65 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.65 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.65 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.65 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.65 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.65 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.65 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.65 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Vamotinib SCHEMBL29441255 | 0.97 | ABL1 (0.80) | ABL1KITCSF1RFGFR1KDR | |
| Vamotinib SCHEMBL15789568 | 0.97 | ABL1 (0.80) | ABL1KITCSF1RFGFR1KDR | |
| SCHEMBL14306277 | 0.90 | FGFR1 (0.69) | ABL1KITCSF1RFGFR1KDR | |
| SCHEMBL25639439 | 0.90 | ABL1 (0.69) | ABL1KITFGFR1KDRABL2 | |
| SCHEMBL15800788 | 0.89 | ABL1 (0.68) | ABL1KITFGFR1KDRABL2 | |
| SCHEMBL15800779 | 0.88 | ABL1 (0.67) | ABL1KITFGFR1KDRABL2 | |
| SCHEMBL15800815 | 0.88 | ABL1 (0.68) | ABL1KITABL2MAPK14 | |
| SCHEMBL18323648 | 0.87 | ABL1 (0.64) | ABL1KITCSF1RFGFR1KDR | |
| Potassium Ion SCHEMBL15789298 | 0.87 | ABL1 (0.67) | ABL1KITFGFR1KDRABL2 | |
| SCHEMBL29493478 | 0.86 | ABL1 (1.00) | ABL1KITCSF1RFGFR1KDR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473492-B | Novel crystalline salt forms of 1,2, 4-triazolo [4,3-a ] pyridine derivatives for medical applications | 融合制药有限责任公司 | 2020-01-07 | — | — | CN | claimed |
| US-11225474-B2 | Crystalline salt forms of 3-(1,2,4-triazolo[4,3-a]pyridine-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl)benzamide for medical application | LIMITED LIABILITY COMPANY «FUSION PHARMA» | 2022-01-18 | — | — | US | disclosed |
| US-20200325131-A1 | NOVEL CRYSTALLINE SALT FORMS OF 3-(1,2,4-TRIAZOLO[4,3-A]PYRIDINE-3-YLETHYNYL)-4-METHYL-N-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-TRIFLUOROMETHYLPHENYL)BENZAMIDE FOR MEDICAL APPLICATION | LIMITED LIABILITY COMPANY <<FUSION PHARMA>> (RU) | 2020-10-15 | — | — | US | disclosed |
| CN-108473492-B | Novel crystalline salt forms of 1,2, 4-triazolo [4,3-a ] pyridine derivatives for medical applications | 融合制药有限责任公司 | 2020-01-07 | — | — | CN | disclosed |
| WO-2017184032-A1 | NOVEL CRYSTALLINE SALT FORMS OF 3-(1,2,4-TRIAZOLO[4,3-A]PYRIDINE-3-YLETHYNYL)-4-METHYL-N-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-TRIFLUOROMETHYLPHENYL)BENZAMIDE FOR MEDICAL APPLICATION | LIMITED LIABILITY COMPANY «FUSION PHARMA» (RU) | 2017-10-26 | — | — | 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 (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-11225474-B2 | Crystalline salt forms of 3-(1,2,4-triazolo[4,3-a]pyridine-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl)benzamide for medical application | ABL2, ALK, ABL1 | ABL1 3/4885KIT 88/4885KDR 1684/4885 |
| US-20200325131-A1 | NOVEL CRYSTALLINE SALT FORMS OF 3-(1,2,4-TRIAZOLO[4,3-A]PYRIDINE-3-YLETHYNYL)-4-METHYL-N-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-TRIFLUOROMETHYLPHENYL)BENZAMIDE FOR MEDICAL APPLICATION | ABL2, SRC, ABL1 | ABL1 3/4885KIT 121/4885KDR 1609/4885 |
“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.