SCHEMBL4422407

SCHEMBL4422407

CCNC(=O)NCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.68
ERBB2 P04626 3/20 0.63
RET P07949 2/20 0.63
ERBB4 Q15303 2/20 0.63
ABL1 P00519 1/20 0.63
MST1R Q04912 1/20 0.60
FBP1 P09467 1/20 0.58

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
SCHEMBL4417161 0.92 EGFR (0.65) EGFRERBB2RETERBB4ABL1
SCHEMBL10285887 0.92 EGFR (0.65) EGFRERBB2RETERBB4ABL1
SCHEMBL185411 0.92 EGFR (0.66) EGFRERBB2RETERBB4ABL1
SCHEMBL29623544 0.92 EGFR (0.66) EGFRERBB2RETERBB4ABL1
SCHEMBL4413573 0.90 EGFR (0.64) EGFRERBB2RETERBB4ABL1
SCHEMBL1446507 0.90 EGFR (0.68) EGFRERBB2RETERBB4ABL1
SCHEMBL4423132 0.89 EGFR (0.67) EGFRERBB2
SCHEMBL14405502 0.89 EGFR (0.62) EGFRERBB2RETERBB4ABL1
SCHEMBL1447320 0.89 EGFR (0.62) EGFRERBB2RETERBB4ABL1
SCHEMBL12743474 0.89 EGFR (0.62) EGFRERBB2RETERBB4ABL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343982-B2 Bicyclic heterocyclic compounds pharmaceutical compositions containing these compounds, their use and process for preparing the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-8343982-B2 Bicyclic heterocyclic compounds pharmaceutical compositions containing these compounds, their use and process for preparing the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-01-01 US disclosed
EP-1492536-B1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-09 EP disclosed
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2011-03-31 US disclosed
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2011-03-31 US disclosed
EP-2298305-A1 4-(N-Phenylamino)-quinazolines/quinolines as inhibitors of tyrosine kinases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 EP disclosed
US-7910731-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-03-22 US disclosed
US-7910731-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-03-22 US disclosed
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2009-02-05 US disclosed
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2009-02-05 US 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 (2 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-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME CYP11B2, CYP11B1, PKD1 EGFR 1254/4885ERBB2 1199/4885RET 1357/4885
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD EGFR 1233/4885ERBB2 1107/4885RET 1411/4885

“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.