Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Neratinib. 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 | |
|---|---|---|---|---|
| ▸ | ERBB2 known ✓ | P04626 | 19/20 | 0.95 |
| ▸ | EGFR known ✓ | P00533 | 19/20 | 0.95 |
| ▸ | ERBB4 known ✓ | Q15303 | 1/20 | 0.95 |
| ▸ | SRC | P12931 | 2/20 | 0.95 |
| ▸ | KDR | P35968 | 2/20 | 0.95 |
| ▸ | STK25 | O00506 | 1/20 | 0.95 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.95 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.95 |
| ▸ | GAK | O14976 | 1/20 | 0.95 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.95 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.95 |
| ▸ | MAP3K13 | O43283 | 1/20 | 0.95 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.95 |
| ▸ | STK17B | O94768 | 1/20 | 0.95 |
| ▸ | STK10 | O94804 | 1/20 | 0.95 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.95 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.95 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.95 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.95 |
| ▸ | ABL1 | P00519 | 1/20 | 0.95 |
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 | |
|---|---|---|---|---|
| Neratinib SCHEMBL571763 | 0.97 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL15163655 | 0.97 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL29376313 | 0.97 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL29394766 | 0.97 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL15163654 | 0.97 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL571762 | 0.97 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL29801657 | 0.97 | ERBB2 (1.00) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL2385159 | 0.95 | ERBB2 (0.95) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL2180998 | 0.95 | ERBB2 (0.95) | ERBB2EGFRSRCKDRSTK25 | |
| Neratinib SCHEMBL2385190 | 0.95 | ERBB2 (0.95) | ERBB2EGFRSRCKDRSTK25 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111344280-B | (E) -N- (3-cyano-7-ethoxy-4- ((4-phenoxyphenyl) amino) quinolin-6-yl) -4- (dimethylamino) but-2-enamide maleate and crystalline forms | 苏州韬略生物科技股份有限公司 | 2022-08-12 | — | — | CN | disclosed |
| US-11034656-B2 | Maleate salts of (E)-N-(3-cyano-7-ethoxy-4-((4-phenoxyphenyl)amino) quinolin-6-yl)-4-(dimethylamino)but-2-enamide and crystalline forms thereof | TELIGENE LTD. (CN) | 2021-06-15 | — | — | US | disclosed |
| US-20200290968-A1 | MALEATE SALTS OF (E)-N-(3-CYANO-7-ETHOXY-4-((4-PHENOXYPHENYL)AMINO) QUINOLIN-6-YL)-4-(DIMETHYLAMINO)BUT-2-ENAMIDE AND CRYSTALLINE FORMS THEREOF | TELIGENE LTD. (CN) | 2020-09-17 | — | — | US | disclosed |
| CN-111344280-A | (E) Maleate salts of (E) -N- (3-cyano-7-ethoxy-4- ((4-phenoxyphenyl) amino) quinolin-6-yl) -4- (dimethylamino) but-2-enamide and crystalline forms thereof | 苏州韬略生物科技有限公司 | 2020-06-26 | — | — | CN | 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-20200290968-A1 | MALEATE SALTS OF (E)-N-(3-CYANO-7-ETHOXY-4-((4-PHENOXYPHENYL)AMINO) QUINOLIN-6-YL)-4-(DIMETHYLAMINO)BUT-2-ENAMIDE AND CRYSTALLINE FORMS THEREOF | ME3, ME2, MB | ERBB2 3955/4885EGFR 4091/4885ERBB4 2100/4885 |
| US-11034656-B2 | Maleate salts of (E)-N-(3-cyano-7-ethoxy-4-((4-phenoxyphenyl)amino) quinolin-6-yl)-4-(dimethylamino)but-2-enamide and crystalline forms thereof | ME3, ME2, MB | ERBB2 3955/4885EGFR 4091/4885ERBB4 2100/4885 |
“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.