SCHEMBL726474

SCHEMBL726474

C[C@@H](Nc1ncnc2cc(OCC3CC3)c(NC(=O)C=CCN(C)C)cc12)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.57
ERBB2 P04626 8/20 0.54
KDR P35968 1/20 0.52
ERBB4 Q15303 2/20 0.49
CIT O14578 1/20 0.49
GAK O14976 1/20 0.49
EPHB6 O15197 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
LYN P07948 1/20 0.49
RET P07949 1/20 0.49
CHRM2 P08172 1/20 0.49
MET P08581 1/20 0.49
HCK P08631 1/20 0.49
SRC P12931 1/20 0.49
PHKG2 P15735 1/20 0.49
ADRA2B P18089 1/20 0.49
ERBB3 P21860 1/20 0.49

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
SCHEMBL726475 1.00 EGFR (0.57) EGFRERBB2KDRERBB4CIT
SCHEMBL726473 1.00 EGFR (0.57) EGFRERBB2KDRERBB4CIT
SCHEMBL1192055 0.92 EGFR (0.57) EGFRERBB2KDRERBB4JAK3
SCHEMBL1192053 0.92 EGFR (0.57) EGFRERBB2KDRERBB4JAK3
SCHEMBL1192050 0.92 EGFR (0.57) EGFRERBB2KDRERBB4JAK3
SCHEMBL232622 0.91 EGFR (0.54) EGFRERBB2ERBB4JAK3
SCHEMBL175533 0.91 EGFR (0.54) EGFRERBB2ERBB4JAK3
SCHEMBL29623467 0.91 EGFR (0.54) EGFRERBB2ERBB4JAK3
SCHEMBL232621 0.91 EGFR (0.54) EGFRERBB2ERBB4JAK3
SCHEMBL185488 0.90 EGFR (0.53) EGFRERBB2ERBB4CITGAK

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 44 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
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-2340837-A1 Combination treatment of cancer comprising EGFR/HER2 inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-06 EP claimed
US-20100010023-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-01-14 US claimed
US-20090306101-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US claimed
US-20090306044-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 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
EP-1345910-B1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THEIR UTILIZATION AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-29 EP claimed
EP-1948180-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-07-30 EP claimed
WO-2007054551-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-18 WO 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
US-20180360834-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-12-20 US disclosed
US-20180086744-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 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
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

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-20180360834-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES NQO2, NRAS, ABL1 EGFR 1758/4885ERBB2 1557/4885KDR 2427/4885
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 78/4885KDR 928/4885
US-20060100223-A1 Quinazoline derivatives and pharmaceutical compositions containing them CNKSR1, RET, ABL1 EGFR 200/4885ERBB2 122/4885KDR 654/4885
US-20100010023-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, ABL1, TYK2 EGFR 218/4885ERBB2 109/4885KDR 643/4885
US-20090306044-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES NQO2, NRAS, ABL1 EGFR 1758/4885ERBB2 1557/4885KDR 2427/4885
US-20170112835-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES NQO2, NRAS, ABL1 EGFR 1758/4885ERBB2 1557/4885KDR 2427/4885
US-20180086744-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885KDR 47/4885
US-20090306101-A1 COMBINATION TREATMENT OF CANCER COMPRISING EGFR/HER2 INHIBITORS EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885KDR 47/4885

“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.