SCHEMBL436188

SCHEMBL436188

CCOP(=O)(CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1)OCC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.75
ERBB2 P04626 5/20 0.69
ABL1 P00519 2/20 0.69
RET P07949 2/20 0.69
ERBB4 Q15303 2/20 0.69
CIT O14578 1/20 0.68
GAK O14976 1/20 0.68
EPHB6 O15197 1/20 0.68
RIPK2 O43353 1/20 0.68
STK10 O94804 1/20 0.68
LCK P06239 1/20 0.68
LYN P07948 1/20 0.68
CHRM2 P08172 1/20 0.68
MET P08581 1/20 0.68
HCK P08631 1/20 0.68
SRC P12931 1/20 0.68
PHKG2 P15735 1/20 0.68
ADRA2B P18089 1/20 0.68
ERBB3 P21860 1/20 0.68
AXL P30530 1/20 0.68

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
SCHEMBL29779503 1.00 EGFR (0.75) EGFRERBB2ABL1RETERBB4
SCHEMBL2072074 1.00 EGFR (0.75) EGFRERBB2ABL1RETERBB4
SCHEMBL436189 1.00 EGFR (0.75) EGFRERBB2ABL1RETERBB4
SCHEMBL29838794 1.00 EGFR (0.75) EGFRERBB2ABL1RETERBB4
SCHEMBL5375309 0.91 EGFR (0.64) EGFRERBB2ERBB4SRC
SCHEMBL4060171 0.91 EGFR (0.75) EGFRERBB2ABL1RETERBB4
SCHEMBL5425627 0.91 EGFR (0.75) EGFRERBB2ABL1RETERBB4
SCHEMBL17498539 0.89 EGFR (0.74) EGFRERBB2ABL1RETERBB4
SCHEMBL29043124 0.88 EGFR (0.73) EGFRERBB2ABL1RETERBB4
SCHEMBL12525787 0.88 EGFR (0.57) EGFRERBB2ABL1RETERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508521-B2 Method for the production of amino crotonyl compounds BOEHRINGER INGELHEIM INT (DE) 2022-09-07 EP disclosed
EP-3089976-B1 CRYSTALLINE FORMS OF AFATINIB DIMALEATE TEVA PHARMACEUTICALS INT GMBH (CH) 2019-08-14 EP disclosed
US-9630952-B2 Crystalline forms of afatinib di-maleate IVAX International GmbH (CH) 2017-04-25 US disclosed
EP-3089976-A1 CRYSTALLINE FORMS OF AFATINIB DI-MALEATE Teva Pharmaceuticals International GmbH (CH) 2016-11-09 EP disclosed
US-20160122329-A1 CRYSTALLINE FORMS OF AFATINIB DI-MALEATE IVAX International GmbH (CH) 2016-05-05 US disclosed
EP-2508521-B1 Dimaleat of an amino crotonyl compound and method of production thereof BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed
US-20150265610-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS, OR ANGIOGENESIS BOEHRINGER INGELHEIM INT (DE) 2015-09-24 US disclosed
WO-2015103456-A1 CRYSTALLINE FORMS OF AFATINIB DI-MALEATE TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2015-07-09 WO disclosed
EP-2826480-A1 Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells, or angiogenesis Boehringer Ingelheim International GmbH (DE) 2015-01-21 EP disclosed
US-20140057898-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS, OR ANGIOGENESIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
US-20070185081-A1 Bicyclic heterocylces, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-09 US disclosed
US-7223749-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
EP-1597240-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim International GmbH (DE) 2005-11-23 EP disclosed
US-20050159436-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-21 US disclosed
US-20050107358-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
US-20050043233-A1 Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells or angiogenesis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 US disclosed
EP-1499619-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-26 EP disclosed
WO-2004074263-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-02 WO disclosed
US-20040044014-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 US disclosed
WO-2003089439-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-30 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 (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-20140057898-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS, OR ANGIOGENESIS BAX, BCL2, VEGFA EGFR 498/4885ERBB2 2106/4885ABL1 1097/4885
US-20050107358-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, AR, CYP11B1 EGFR 404/4885ERBB2 225/4885ABL1 431/4885
US-20050159436-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof RET, CYP11B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EGFR 478/4885ERBB2 329/4885ABL1 697/4885
US-20070185081-A1 Bicyclic heterocylces, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, AR, RB1 EGFR 263/4885ERBB2 140/4885ABL1 340/4885
US-20150265610-A1 COMBINATIONS FOR THE TREATMENT OF DISEASES INVOLVING CELL PROLIFERATION, MIGRATION OR APOPTOSIS OF MYELOMA CELLS, OR ANGIOGENESIS BAX, BCL2, VEGFA EGFR 498/4885ERBB2 2106/4885ABL1 1097/4885
US-20050043233-A1 Combinations for the treatment of diseases involving cell proliferation, migration or apoptosis of myeloma cells or angiogenesis BAX, BCL2, CXCL12 EGFR 584/4885ERBB2 2146/4885ABL1 1053/4885
US-20160122329-A1 CRYSTALLINE FORMS OF AFATINIB DI-MALEATE CDC73, MET, TP53 EGFR 8/4885ERBB2 22/4885ABL1 19/4885
US-20040044014-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for the preparation thereof CYP11B1, CYP11B2, AR EGFR 309/4885ERBB2 208/4885ABL1 1089/4885

“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.