Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nilotinib. 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 | 16/20 | 0.96 |
| ▸ | BCR known ✓ | P11274 | 8/20 | 0.96 |
| ▸ | KIT | P10721 | 11/20 | 0.96 |
| ▸ | LDLR | P01130 | 8/20 | 0.96 |
| ▸ | PCSK9 | Q8NBP7 | 8/20 | 0.96 |
| ▸ | PDGFRB | P09619 | 6/20 | 0.96 |
| ▸ | LCK | P06239 | 4/20 | 0.96 |
| ▸ | LYN | P07948 | 4/20 | 0.96 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.96 |
| ▸ | FLT3 | P36888 | 4/20 | 0.96 |
| ▸ | DDR2 | Q16832 | 4/20 | 0.96 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.96 |
| ▸ | SRC | P12931 | 2/20 | 0.96 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.96 |
| ▸ | CA12 | O43570 | 1/20 | 0.96 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.96 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.96 |
| ▸ | STK10 | O94804 | 1/20 | 0.96 |
| ▸ | CA1 | P00915 | 1/20 | 0.96 |
| ▸ | CA2 | P00918 | 1/20 | 0.96 |
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 | |
|---|---|---|---|---|
| Nilotinib SCHEMBL16832027 | 1.00 | ABL1 (0.96) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL7901 | 0.98 | ABL1 (1.00) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL29366964 | 0.98 | ABL1 (1.00) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL29580067 | 0.98 | ABL1 (1.00) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL434496 | 0.97 | ABL1 (0.99) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL1984397 | 0.97 | ABL1 (0.99) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL28656586 | 0.97 | ABL1 (0.99) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL1459790 | 0.97 | ABL1 (0.99) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL9990634 | 0.97 | ABL1 (0.99) | ABL1KITBCRLDLRPCSK9 | |
| Nilotinib SCHEMBL31005052 | 0.97 | ABL1 (0.99) | ABL1KITBCRLDLRPCSK9 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2186808-B1 | Salts of 4-methyl-n-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide | NOVARTIS AG (CH) | 2017-04-19 | — | — | EP | disclosed |
| US-9163005-B2 | Salts of 4-methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide | NOVARTIS AG (CH) | 2015-10-20 | — | — | US | disclosed |
| WO-2015092624-A1 | NILOTINIB MONO-OXALATE AND ITS CRYSTALLINE FORM | RANBAXY LABORATORIES LIMITED (IN) | 2015-06-25 | — | — | WO | disclosed |
| US-20140038994-A1 | Salts of 4-Methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide | NOVARTIS AG (CH) | 2014-02-06 | — | — | US | disclosed |
| US-8580806-B2 | Salts of 4-methyl N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide | NOVARTIS AG (CH) | 2013-11-12 | — | — | US | disclosed |
| US-20130137712-A1 | Salts of 4-Methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide | NOVARTIS AG (CH) | 2013-05-30 | — | — | US | disclosed |
| US-8389537-B2 | Salts of 4-methyl N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide | NOVARTIS AG (CH) | 2013-03-05 | — | — | US | disclosed |
| US-20120270891-A1 | Salts of 4-Methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide | MANLEY PAUL W (CH) | 2012-10-25 | — | — | US | disclosed |
| US-8163904-B2 | Prepared by reacting free base with an acid in methanol under a nitrogen atmosphere; use in treating a disease which responds to an inhibition of protein kinase activity | NOVARTIS AG (CH) | 2012-04-24 | — | — | US | disclosed |
| US-20080200487-A1 | Salts of 4-Methyl-N-[3-(4-Methyl-Imidazol-1-Yl)-5-Trifluoromethyl-Phenyl]-3-(4-Pyridin-3-Yl-Pyrimidin-2-Ylamino)-Benzamide | NOVARTIS AG (CH) | 2008-08-21 | — | — | 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 (4 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-20140038994-A1 | Salts of 4-Methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide | AZI2, BRD4, BRD3 | ABL1 12/4885BCR 2700/4885KIT 1164/4885 |
| US-20120270891-A1 | Salts of 4-Methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide | AZI2, BRD4, BRD3 | ABL1 12/4885BCR 2700/4885KIT 1164/4885 |
| US-20080200487-A1 | Salts of 4-Methyl-N-[3-(4-Methyl-Imidazol-1-Yl)-5-Trifluoromethyl-Phenyl]-3-(4-Pyridin-3-Yl-Pyrimidin-2-Ylamino)-Benzamide | AZI2, BRD4, BRD3 | ABL1 12/4885BCR 2700/4885KIT 1164/4885 |
| US-20130137712-A1 | Salts of 4-Methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide | AZI2, BRD4, BRD3 | ABL1 12/4885BCR 2700/4885KIT 1164/4885 |
“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.