SCHEMBL1190948

SCHEMBL1190948

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

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.89
ERBB2 P04626 8/20 0.89
ABL1 P00519 3/20 0.89
ERBB4 Q15303 3/20 0.89
GAK O14976 2/20 0.89
LCK P06239 2/20 0.89
MET P08581 2/20 0.89
PHKG2 P15735 2/20 0.89
BLK P51451 2/20 0.89
IRAK1 P51617 2/20 0.89
DYRK1A Q13627 2/20 0.89
HIPK4 Q8NE63 2/20 0.89
EPHA6 Q9UF33 2/20 0.89
RET P07949 2/20 0.89
CIT O14578 1/20 0.89
EPHB6 O15197 1/20 0.89
RIPK2 O43353 1/20 0.89
STK10 O94804 1/20 0.89
LYN P07948 1/20 0.89
CHRM2 P08172 1/20 0.89

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
SCHEMBL1190947 1.00 EGFR (0.89) EGFRERBB2ABL1ERBB4GAK
SCHEMBL1190951 1.00 EGFR (0.89) EGFRERBB2ABL1ERBB4GAK
SCHEMBL1191162 0.97 EGFR (0.83) EGFRERBB2ABL1ERBB4GAK
SCHEMBL1190866 0.95 EGFR (0.89) EGFRERBB2ABL1ERBB4GAK
SCHEMBL1190862 0.95 EGFR (0.89) EGFRERBB2ABL1ERBB4GAK
SCHEMBL1190864 0.95 EGFR (0.89) EGFRERBB2ABL1ERBB4GAK
Afatinib SCHEMBL231073 0.94 EGFR (1.00) EGFRERBB2ABL1ERBB4GAK
Afatinib SCHEMBL2865634 0.94 EGFR (1.00) EGFRERBB2ABL1ERBB4GAK
Afatinib SCHEMBL231072 0.94 EGFR (1.00) EGFRERBB2ABL1ERBB4GAK
Afatinib SCHEMBL185621 0.94 EGFR (1.00) EGFRERBB2ABL1ERBB4GAK

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 29 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 claimed
EP-2508521-B1 Dimaleat of an amino crotonyl compound and method of production thereof BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP claimed
EP-1731511-B1 Bicyclic heterocycles, medicaments containing these compounds, their use and methods for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 2015-08-12 EP claimed
US-20100010023-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-14 US claimed
EP-2112140-A1 Chinazolin derivatives, medicine containing these compounds, application thereof and method for their production Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-10-28 EP claimed
US-20060100223-A1 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US claimed
EP-1345910-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-24 EP claimed
US-20020173509-A1 Quinazoline derivatives and phamaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-21 US claimed
WO-2002050043-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 WO claimed
EP-1731511-B1 Bicyclic heterocycles, medicaments containing these compounds, their use and methods for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 2015-08-12 EP disclosed
US-8722694-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-05-13 US disclosed
US-8586608-B2 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-11-19 US disclosed
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-12-27 US disclosed
US-RE43431-E1 Quinazoline derivatives and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2012-05-29 US disclosed
EP-1345910-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-24 EP disclosed
US-20020173509-A1 Quinazoline derivatives and phamaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-21 US disclosed
US-20020169180-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-11-14 US disclosed
WO-2002050043-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 WO disclosed
EP-1194418-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-04-10 EP disclosed
WO-2000078735-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-28 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 (5 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-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 78/4885ABL1 48/4885
US-20060100223-A1 Quinazoline derivatives and pharmaceutical compositions containing them CNKSR1, RET, ABL1 EGFR 200/4885ERBB2 122/4885ABL1 3/4885
US-20120329778-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM RET, ROR1, JAK1 EGFR 100/4885ERBB2 57/4885ABL1 103/4885
US-20100010023-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, ABL1, TYK2 EGFR 218/4885ERBB2 109/4885ABL1 2/4885
US-20020169180-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them CYP11B1, ROR1, RET EGFR 75/4885ERBB2 31/4885ABL1 164/4885

“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.