SCHEMBL4418702

SCHEMBL4418702

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCN(C(C)=O)C1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.73
ERBB2 P04626 5/20 0.68
KDR P35968 5/20 0.63
EPHB4 P54760 3/20 0.63
AURKA O14965 1/20 0.63
INSR P06213 1/20 0.63
FBP1 P09467 1/20 0.63
PDGFRB P09619 1/20 0.63
FLT4 P35916 1/20 0.63
CLK1 P49759 1/20 0.63
TEK Q02763 1/20 0.63
AURKB Q96GD4 1/20 0.63
EPHA2 P29317 3/20 0.63

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
SCHEMBL4416732 0.95 EGFR (0.78) EGFRERBB2KDREPHB4AURKA
SCHEMBL12536502 0.92 EGFR (0.70) EGFRERBB2KDREPHB4AURKA
SCHEMBL4421677 0.91 EGFR (0.69) EGFRERBB2KDREPHB4AURKA
SCHEMBL1333601 0.91 EGFR (0.80) EGFRERBB2KDREPHB4AURKA
SCHEMBL1446140 0.90 EGFR (0.68) EGFRERBB2KDREPHB4AURKA
SCHEMBL10287124 0.90 EGFR (0.68) EGFRERBB2KDREPHB4AURKA
SCHEMBL4416173 0.88 EGFR (0.84) EGFRERBB2KDREPHB4AURKA
SCHEMBL1447161 0.88 EGFR (0.78) EGFRERBB2KDREPHB4AURKA
SCHEMBL12536487 0.87 EGFR (0.74) EGFRERBB2KDREPHB4AURKA
SCHEMBL3390846 0.87 EGFR (0.90) EGFRERBB2

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 1199/4885KDR 4676/4885
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD EGFR 1233/4885ERBB2 1107/4885KDR 4656/4885

“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.