SCHEMBL4226764

SCHEMBL4226764

Fc1ccc(Nc2ncnc3cc(OC4CCCC4)c(OCc4ccccc4)cc23)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.64
KDR P35968 3/20 0.63
EPHB4 P54760 3/20 0.63
EPHA2 P29317 2/20 0.63
FBP1 P09467 2/20 0.61
ERBB2 P04626 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

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
SCHEMBL6987880 0.98 EGFR (0.64) EGFRKDREPHB4EPHA2FBP1
Hydrochloric Acid SCHEMBL1447232 0.92 EGFR (0.61) EGFRKDREPHB4EPHA2FBP1
SCHEMBL4235145 0.90 EGFR (0.67) EGFRKDREPHB4EPHA2FBP1
SCHEMBL7003869 0.89 EGFR (0.67) EGFRKDREPHB4EPHA2ERBB2
SCHEMBL4527518 0.89 EGFR (0.67) EGFRKDREPHB4EPHA2ERBB2
SCHEMBL4527523 0.89 EGFR (0.67) EGFRKDREPHB4EPHA2ERBB2
SCHEMBL5227250 0.89 EGFR (0.67) EGFRKDREPHB4EPHA2ERBB2
Hydrochloric Acid SCHEMBL1446390 0.88 EGFR (0.66) EGFRKDREPHB4EPHA2ERBB2
SCHEMBL6987061 0.88 EGFR (0.69) EGFRKDREPHB4EPHA2FBP1
SCHEMBL4231045 0.87 EGFR (0.74) EGFRKDREPHB4EPHA2FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 US disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 US disclosed
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 EP disclosed
CN-1150171-C Bicyclic heterocycles, pharmaceutical compositions containing these compounds, and processes for their preparation ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-05-19 CN disclosed
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 EP disclosed
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-28 US disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US disclosed
CN-1343201-A Bicyclic heterocycles, pharmaceutical compositions containing these compounds, and processes for preparing them BOEHRINGER INGELHEIM PHARMA (DE) 2002-04-03 CN disclosed
WO-2002018351-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 WO disclosed
EP-1163227-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055141-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 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 (4 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-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 EGFR 2063/4885KDR 3805/4885EPHB4 4012/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 EGFR 2063/4885KDR 3805/4885EPHB4 4012/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 EGFR 1367/4885KDR 4070/4885EPHB4 4068/4885
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 137/4885KDR 500/4885EPHB4 1814/4885

“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.