Neratinib

Neratinib

SCHEMBL571763

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 1.00
EGFR known ✓ P00533 19/20 1.00
ERBB4 known ✓ Q15303 1/20 1.00
SRC P12931 2/20 1.00
KDR P35968 2/20 1.00
STK25 O00506 1/20 1.00
MAP2K7 O14733 1/20 1.00
CHEK1 O14757 1/20 1.00
GAK O14976 1/20 1.00
EPHB6 O15197 1/20 1.00
ABCC4 O15439 1/20 1.00
MAP3K13 O43283 1/20 1.00
NUAK1 O60285 1/20 1.00
STK17B O94768 1/20 1.00
STK10 O94804 1/20 1.00
PRKD3 O94806 1/20 1.00
ABCB11 O95342 1/20 1.00
MAP4K4 O95819 1/20 1.00
CHEK2 O96017 1/20 1.00
ABL1 P00519 1/20 1.00

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 SCHEMBL29376313 1.00 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL15163655 1.00 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL29394766 1.00 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL29801657 1.00 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL15163654 1.00 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL571762 1.00 ERBB2 (1.00) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL2385159 0.97 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL22408867 0.97 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL2180998 0.97 ERBB2 (0.95) ERBB2EGFRSRCKDRSTK25
Neratinib SCHEMBL2385190 0.97 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 575 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-3730139-B1 ANTINEOPLASTIC COMBINATIONS CONTAINING HKI-272 AND VINORELBINE WYETH LLC (US) 2023-08-16 EP claimed
US-20230201155-A1 Antineoplastic Combinations with m-TOR Inhibitor, Trastuzumab and/or HKI-272 WYETH LLC (US) 2023-06-29 US claimed
US-20220354820-A1 Antineoplastic Combinations with m-TOR Inhibitor, Trastuzumab and/or HKI-272 WYETH LLC (US) 2022-11-10 US claimed
CN-106822127-B Lenalinib maleate and crystalline forms 惠氏有限责任公司 2022-07-29 CN claimed
EP-3443961-B1 ANTINEOPLASTIC COMBINATIONS CONTAINING HKI-272 AND VINORELBINE WYETH LLC (US) 2020-10-28 EP claimed
EP-3730139-A1 ANTINEOPLASTIC COMBINATIONS CONTAINING HKI-272 AND VINORELBINE Wyeth LLC (US) 2020-10-28 EP claimed
US-10729672-B2 Antineoplastic combinations with mTOR inhibitor, trastuzumab and/or HKI-272 WYETH LLC (US) 2020-08-04 US claimed
EP-2498751-B1 COATED DRUG SPHEROIDS AND USES THEREOF FOR ELIMINATING OR REDUCING CONDITIONS SUCH AS EMESIS AND DIARRHEA WYETH LLC (US) 2019-04-03 EP claimed
EP-3443961-A1 ANTINEOPLASTIC COMBINATIONS CONTAINING HKI-272 AND VINORELBINE Wyeth LLC (US) 2019-02-20 EP claimed
EP-1670473-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2006-06-21 EP claimed
US-20060128793-A1 Analogs of 17-hydroxywortmannin as P13K inhibitors WYETH (US) 2006-06-15 US claimed
WO-2006044453-A1 ANALOGS OF 17-HYDROXYWORTMANNIN AS PI3K INHIBITORS WYETH (US) 2006-04-27 WO claimed
WO-2006042100-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH (US) 2006-04-20 WO claimed
US-20060079515-A1 Method for the treatment of polycystic kidney disease WYETH (US) 2006-04-13 US claimed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 WO claimed
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US claimed
WO-2005034955-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH (US) 2005-04-21 WO claimed
WO-2005028443-A2 PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH A CORPORATION OF THE STATE OF DELAWARE, USA (US) 2005-03-31 WO claimed
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors WYETH (US) 2005-03-17 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20060128793-A1 Analogs of 17-hydroxywortmannin as P13K inhibitors STK17A, STK17B, HSD17B7 ERBB2 3357/4885EGFR 3411/4885ERBB4 3506/4885
US-20060079515-A1 Method for the treatment of polycystic kidney disease ERBB2, PKD2, EGFR ERBB2 1/4885EGFR 3/4885ERBB4 7/4885
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors ABL1, ERBB2, RET ERBB2 2/4885EGFR 6/4885ERBB4 8/4885
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-20220354820-A1 Antineoplastic Combinations with m-TOR Inhibitor, Trastuzumab and/or HKI-272 RICTOR, MTOR, TFPI2 ERBB2 19/4885EGFR 80/4885ERBB4 148/4885
US-20230201155-A1 Antineoplastic Combinations with m-TOR Inhibitor, Trastuzumab and/or HKI-272 RICTOR, MTOR, TFPI2 ERBB2 19/4885EGFR 80/4885ERBB4 148/4885
US-10729672-B2 Antineoplastic combinations with mTOR inhibitor, trastuzumab and/or HKI-272 RICTOR, HK2, MTOR ERBB2 13/4885EGFR 81/4885ERBB4 188/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 ERBB2 29/4885EGFR 53/4885ERBB4 44/4885

“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.