SCHEMBL1446366

SCHEMBL1446366

Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.64
ERBB2 P04626 3/20 0.58
KDR P35968 3/20 0.58
FBP1 P09467 2/20 0.58
EPHB4 P54760 2/20 0.58
AURKA O14965 1/20 0.58
INSR P06213 1/20 0.58
PDGFRB P09619 1/20 0.58
FLT4 P35916 1/20 0.58
CLK1 P49759 1/20 0.58
TEK Q02763 1/20 0.58
AURKB Q96GD4 1/20 0.58
EPHA2 P29317 1/20 0.54
ERBB4 Q15303 1/20 0.53
RAF1 P04049 1/20 0.53
BRAF P15056 1/20 0.53

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
SCHEMBL4225070 0.92 EGFR (0.65) EGFRERBB2KDRFBP1EPHB4
SCHEMBL1446628 0.89 EGFR (0.65) EGFRERBB2KDRFBP1EPHB4
SCHEMBL21585581 0.89 EGFR (0.64) EGFRERBB2KDRFBP1EPHB4
SCHEMBL1446018 0.88 EGFR (0.79) EGFRERBB2KDRFBP1EPHB4
SCHEMBL4224122 0.88 EGFR (0.65) EGFRERBB2KDRFBP1EPHB4
SCHEMBL7219084 0.88 EGFR (0.65) EGFRERBB2KDRFBP1EPHB4
Hydrochloric Acid SCHEMBL1446434 0.87 EGFR (0.78) EGFRERBB2KDRFBP1EPHB4
Hydrochloric Acid SCHEMBL4081795 0.87 EGFR (0.78) EGFRERBB2KDRFBP1EPHB4
SCHEMBL1446503 0.86 FBP1 (0.75) EGFRERBB2KDRFBP1EPHB4
SCHEMBL185864 0.85 EGFR (0.70) EGFRERBB2KDREPHB4EPHA2

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 13 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
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
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-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-20060270672-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2006-11-30 US disclosed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US disclosed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US disclosed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 US disclosed
EP-1492536-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-05 EP disclosed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US disclosed
WO-2003082290-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-09 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-20060270672-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
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
US-20050182043-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
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 EGFR 221/4885ERBB2 163/4885KDR 1724/4885

“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.