SCHEMBL10054545

SCHEMBL10054545

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1CC(=O)/C=C/CN(C)C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.79
ERBB2 P04626 15/20 0.79
STK3 Q13188 4/20 0.79
STK4 Q13043 4/20 0.79
SRC P12931 2/20 0.79
KDR P35968 2/20 0.79
STK25 O00506 1/20 0.79
MAP2K7 O14733 1/20 0.79
CHEK1 O14757 1/20 0.79
GAK O14976 1/20 0.79
EPHB6 O15197 1/20 0.79
ABCC4 O15439 1/20 0.79
MAP3K13 O43283 1/20 0.79
NUAK1 O60285 1/20 0.79
STK17B O94768 1/20 0.79
STK10 O94804 1/20 0.79
PRKD3 O94806 1/20 0.79
ABCB11 O95342 1/20 0.79
MAP4K4 O95819 1/20 0.79
CHEK2 O96017 1/20 0.79

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
SCHEMBL10054544 0.93 ERBB2 (0.69) EGFRERBB2STK3STK4SRC
SCHEMBL10023955 0.92 EGFR (0.73) EGFRERBB2STK3STK4SRC
SCHEMBL14765641 0.92 ERBB2 (0.67) EGFRERBB2STK3STK4SRC
Neratinib SCHEMBL29801657 0.89 ERBB2 (1.00) EGFRERBB2STK3STK4SRC
Neratinib SCHEMBL29394766 0.89 ERBB2 (1.00) EGFRERBB2STK3STK4SRC
Neratinib SCHEMBL15163655 0.89 ERBB2 (1.00) EGFRERBB2STK3STK4SRC
Neratinib SCHEMBL29376313 0.89 ERBB2 (1.00) EGFRERBB2STK3STK4SRC
Neratinib SCHEMBL571763 0.89 ERBB2 (1.00) EGFRERBB2STK3STK4SRC
Neratinib SCHEMBL571762 0.89 ERBB2 (1.00) EGFRERBB2STK3STK4SRC
Neratinib SCHEMBL15163654 0.89 ERBB2 (1.00) EGFRERBB2STK3STK4SRC

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-20230201155-A1 Antineoplastic Combinations with m-TOR Inhibitor, Trastuzumab and/or HKI-272 WYETH LLC (US) 2023-06-29 US disclosed
US-10035788-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) 2018-07-31 US disclosed
US-10035788-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) 2018-07-31 US disclosed
US-20180193274-A1 COMPOSITIONS FOR ILEO-JEJUNAL DRUG DELIVERY PRINCIPIA BIOPHARMA INC. 2018-07-12 US disclosed
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO, LTD. (CN) 2017-11-23 US disclosed
US-20170320852-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF WYETH LLC 2017-11-09 US disclosed
US-20170320852-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF WYETH LLC 2017-11-09 US disclosed
US-20170231972-A1 ANTINEOPLASTIC COMBINATIONS CONTAINING HKI-272 AND VINORELBINE WYETH 2017-08-17 US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
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 disclosed
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 disclosed
US-20110195066-A1 QUINOLINE INHIBITORS OF TYROSINE KINASE AUSPEX PHARMACEUTICALS, INC. (US) 2011-08-11 US disclosed
US-20110165257-A1 COATED DRUG SPHEROIDS AND USES THEREOF FOR ELIMINATING OR REDUCING CONDITIONS SUCH AS EMESIS AND DIARRHEA WYETH LLC (US) 2011-07-07 US disclosed
US-20110111018-A1 COATED TABLET FORMULATIONS AND USES THEREOF WYETH LLC (US) 2011-05-12 US disclosed
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 disclosed
US-20090176827-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF WYETH (US) 2009-07-09 US disclosed
US-20090176827-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF WYETH (US) 2009-07-09 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 (12 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-20110165257-A1 COATED DRUG SPHEROIDS AND USES THEREOF FOR ELIMINATING OR REDUCING CONDITIONS SUCH AS EMESIS AND DIARRHEA CHEK1, MAP3K15, KIT EGFR 51/4885ERBB2 31/4885STK3 158/4885
US-20170231972-A1 ANTINEOPLASTIC COMBINATIONS CONTAINING HKI-272 AND VINORELBINE HK2, HKDC1, HK1 EGFR 669/4885ERBB2 184/4885STK3 2127/4885
US-20170320852-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF EGFR, ERBB4, ALK EGFR 1/4885ERBB2 7/4885STK3 392/4885
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 EGFR 983/4885ERBB2 1417/4885STK3 469/4885
US-10035788-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 EGFR, ERBB4, ERBB3 EGFR 1/4885ERBB2 4/4885STK3 436/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 EGFR 3656/4885ERBB2 3194/4885STK3 3024/4885
US-20090176827-A1 MALEATE SALTS OF (E)-N--4-(DIMETHYLAMINO)-2-BUTENAMIDE AND CRYSTALLINE FORMS THEREOF EGFR, ERBB4, ALK EGFR 1/4885ERBB2 4/4885STK3 367/4885
US-20180193274-A1 COMPOSITIONS FOR ILEO-JEJUNAL DRUG DELIVERY BTK, LCK, DSTYK EGFR 228/4885ERBB2 52/4885STK3 366/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP EGFR 1032/4885ERBB2 240/4885STK3 2746/4885
US-20230201155-A1 Antineoplastic Combinations with m-TOR Inhibitor, Trastuzumab and/or HKI-272 RICTOR, MTOR, TFPI2 EGFR 80/4885ERBB2 19/4885STK3 871/4885
US-20110111018-A1 COATED TABLET FORMULATIONS AND USES THEREOF EGFR, NNT, ERBB3 EGFR 1/4885ERBB2 46/4885STK3 789/4885
US-20110195066-A1 QUINOLINE INHIBITORS OF TYROSINE KINASE ABL1, FLT3, BTK EGFR 369/4885ERBB2 9/4885STK3 136/4885

“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.