Afatinib

Afatinib

SCHEMBL231072

CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CCOC1

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 Afatinib. 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
EGFR known ✓ P00533 20/20 1.00
ERBB2 known ✓ P04626 10/20 1.00
ERBB4 known ✓ Q15303 2/20 1.00
GAK O14976 2/20 1.00
ABL1 P00519 2/20 1.00
LCK P06239 2/20 1.00
MET P08581 2/20 1.00
PHKG2 P15735 2/20 1.00
BLK P51451 2/20 1.00
IRAK1 P51617 2/20 1.00
DYRK1A Q13627 2/20 1.00
HIPK4 Q8NE63 2/20 1.00
EPHA6 Q9UF33 2/20 1.00
CIT O14578 1/20 1.00
EPHB6 O15197 1/20 1.00
RIPK2 O43353 1/20 1.00
STK10 O94804 1/20 1.00
LYN P07948 1/20 1.00
RET P07949 1/20 1.00
CHRM2 P08172 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
Afatinib SCHEMBL28567422 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL232772 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL2269415 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL29733662 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL2865630 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL185621 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL2865634 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL185786 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL231073 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK
Afatinib SCHEMBL28409673 1.00 EGFR (1.00) EGFRERBB2GAKABL1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180360834-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-12-20 US claimed
EP-3173084-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Boehringer Ingelheim International GmbH (DE) 2017-05-31 EP claimed
US-20170112835-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES BOEHRINGER INGELHEIM INT (DE) 2017-04-27 US claimed
EP-1345910-B9 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2014-06-04 EP claimed
EP-1505981-B1 UTILIZATION OF INHIBITORS OF EGFR-MEDIATED SIGNAL TRANSDUCTION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA (BPH)/PROSTATIC HYPERTROPHY BOEHRINGER INGELHEIM PHARMA (DE) 2012-07-11 EP claimed
US-RE43431-E1 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-05-29 US claimed
EP-2340837-A1 Combination treatment of cancer comprising EGFR/HER2 inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-06 EP claimed
US-20110046168-A1 METHODS OF TREATING DISEASES USING QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-02-24 US claimed
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG. (DE) 2010-12-09 US claimed
US-20100144639-A1 USE OF INHIBITORS OF THE EGFR-MEDIATED SIGNAL TRANSDUCTION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA (BPH) / PROSTATIC HYPERTROPHY BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US claimed
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US claimed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US claimed
US-20050203088-A1 Medicament combinations based on scopine- or tropene acid esters with EGFR-kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US claimed
US-20050165013-A1 Pharmaceutical compositions containing anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-28 US claimed
US-20050148562-A1 Pharmaceutical compositions based on anticholinergics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-07 US claimed
US-20040048887-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
US-20030225079-A1 Use of inhibitors of the EGFR-mediated signal transduction for the treatment of benign prostatic hyperplasia (BPH)/prostatic hypertrophy BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-04 US claimed
US-20030158196-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2003-08-21 US claimed
US-20030149062-A1 Use of tyrosine kinase inhibitors for the treatment of inflammatory processes BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-08-07 US claimed
US-20020173509-A1 Quinazoline derivatives and phamaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-21 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 (14 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-20180360834-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES NQO2, NRAS, ABL1 EGFR 1758/4885ERBB2 1557/4885ERBB4 1535/4885
US-20020173509-A1 Quinazoline derivatives and phamaceutical compositions containing them MAP3K1, MAP4K2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EGFR 195/4885ERBB2 78/4885ERBB4 152/4885
US-20050165013-A1 Pharmaceutical compositions containing anticholinergics and EGFR kinase inhibitors CHRM3, EGFR, CHRM2 EGFR 2/4885ERBB2 4/4885ERBB4 15/4885
US-20050148562-A1 Pharmaceutical compositions based on anticholinergics and additional active ingredients CHRM3, ADRA2C, PDE3A EGFR 52/4885ERBB2 96/4885ERBB4 37/4885
US-20050203088-A1 Medicament combinations based on scopine- or tropene acid esters with EGFR-kinase inhibitors ERBB2, EGFR, ERBB3 EGFR 2/4885ERBB2 1/4885ERBB4 4/4885
US-20170112835-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES NQO2, NRAS, ABL1 EGFR 1758/4885ERBB2 1557/4885ERBB4 1535/4885
US-20100144639-A1 USE OF INHIBITORS OF THE EGFR-MEDIATED SIGNAL TRANSDUCTION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA (BPH) / PROSTATIC HYPERTROPHY BPHL, EGFR, ERBB3 EGFR 2/4885ERBB2 4/4885ERBB4 6/4885
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients PDE4B, CHRM3, ADRA2C EGFR 43/4885ERBB2 75/4885ERBB4 22/4885
US-20030149062-A1 Use of tyrosine kinase inhibitors for the treatment of inflammatory processes ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885ERBB4 3/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B EGFR 3691/4885ERBB2 2317/4885ERBB4 2976/4885
US-20030225079-A1 Use of inhibitors of the EGFR-mediated signal transduction for the treatment of benign prostatic hyperplasia (BPH)/prostatic hypertrophy BPHL, EGFR, ERBB3 EGFR 2/4885ERBB2 4/4885ERBB4 6/4885
US-20110046168-A1 METHODS OF TREATING DISEASES USING QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, ABL1, JAK1 EGFR 212/4885ERBB2 100/4885ERBB4 127/4885
US-20040048887-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors CHRM3, EGFR, ERBB2 EGFR 2/4885ERBB2 3/4885ERBB4 9/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 EGFR 53/4885ERBB2 29/4885ERBB4 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.