Neratinib

Neratinib

SCHEMBL2385159

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C.O.O=C(O)/C=C\C(=O)O

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

EGFRERBB2ERBB4

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)

geneUniProtsupporting neighboursconfidence
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.

Compoundsimilaritytop predictedshared targets
Neratinib SCHEMBL29576434 1.00 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL29801668 1.00 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL30560767 1.00 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL29576438 1.00 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL28793163 1.00 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL2385190 1.00 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL19579521 1.00 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL2180998 1.00 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL30276894 1.00 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL29801259 1.00 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143077-A Lenatinib maleate and crystalline forms 惠氏有限责任公司 2023-12-01 CN claimed
CN-116715653-A Lenatinib maleate and crystalline forms 惠氏有限责任公司 2023-09-08 CN claimed
CN-116715654-A Lenatinib maleate and crystalline forms 惠氏有限责任公司 2023-09-08 CN claimed
US-9630946-B2 Maleate salts of (E)-N-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof WYETH LLC (US) 2017-04-25 US claimed
EP-2626353-B1 Maleate salts of (E)-N-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof WYETH LLC (US) 2016-11-23 EP claimed
EP-3088398-A1 MALEATE SALTS OF (E)-N-{4-[3-CHLORO-4-(2-PYRIDINYLMETHOXY)ANILINO]-3-CYANO-7-ETHOXY-6-QUINOLINYL}-4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF Wyeth LLC (US) 2016-11-02 EP claimed
EP-2537843-B1 Preparation of maleate salt of neratininb WYETH LLC (US) 2016-09-14 EP claimed
EP-2617719-B1 Maleate salts of (e)-n-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof WYETH LLC (US) 2016-05-11 EP claimed
US-20160068511-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF WYETH 2016-03-10 US claimed
EP-2626353-A1 Maleate salts of (E)-N-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof Wyeth LLC (US) 2013-08-14 EP claimed
EP-2617719-A1 Maleate salts of (e)-n-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof Wyeth LLC (US) 2013-07-24 EP claimed
US-8394959-B2 Maleate salts of (E)-N-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-buteramide and crystalline forms thereof WYETH LLC (US) 2013-03-12 US claimed
US-20120289545-A1 Maleate Salts of (E)-N--4-(Dimethylamino)-2-Butenamide and Crystalline Forms Thereof LU QINGHONG (US) 2012-11-15 US claimed
US-8022216-B2 Maleate salts of (E)-N-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof WYETH LLC (US) 2011-09-20 US claimed
EP-2258698-A2 Maleate salts of (E)-N-{4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide and crystalline forms thereof Wyeth LLC (US) 2010-12-08 EP claimed
EP-2212311-A2 MALEATE SALTS OF (E)-N-{4-Ý3-CHLORO-4-(2-PYRIDINYLMETHOXY)ANILINO¨-3-CYANO-7-ETHOXY-6-QUINOLINYL}-4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF Wyeth LLC (US) 2010-08-04 EP claimed
US-20090176827-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF WYETH (US) 2009-07-09 US claimed
WO-2009052264-A2 MALEATE SALTS OF (E)-N-{4-[3-CHLORO-4-(2-PYRIDINYLMETHOXY)ANILINO]-3-CYANO-7-ETHOXY-6-QUINOLINYL}-4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF WYETH (US) 2009-04-23 WO claimed
US-20260092046-A1 MALEATE SALTS OF (E)-N-{4-[3-CHLORO-4-(2-PYRIDINYLMETHOXY)ANILINO]-3-CYANO-7-ETHOXY-6-QUINOLINYL}-4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF WYETH LLC (US) 2026-04-02 US disclosed
WO-2009052264-A2 MALEATE SALTS OF (E)-N-{4-[3-CHLORO-4-(2-PYRIDINYLMETHOXY)ANILINO]-3-CYANO-7-ETHOXY-6-QUINOLINYL}-4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF WYETH (US) 2009-04-23 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120289545-A1 Maleate Salts of (E)-N--4-(Dimethylamino)-2-Butenamide and Crystalline Forms Thereof EGFR, ERBB4, ALK ERBB2 4/4885EGFR 1/4885ERBB4 2/4885
US-20260092046-A1 MALEATE SALTS OF (E)-N-{4-[3-CHLORO-4-(2-PYRIDINYLMETHOXY)ANILINO]-3-CYANO-7-ETHOXY-6-QUINOLINYL}-4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF EGFR, MET, ERBB2 ERBB2 3/4885EGFR 1/4885ERBB4 6/4885
US-20090176827-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF EGFR, ERBB4, ALK ERBB2 4/4885EGFR 1/4885ERBB4 2/4885
US-20160068511-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF EGFR, ERBB4, ALK ERBB2 4/4885EGFR 1/4885ERBB4 2/4885

“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.