SCHEMBL4523002

SCHEMBL4523002

Fc1ccc(Nc2ncnc3cc(O[C@@H]4CCOC4)c(O[C@H]4CCOC4)cc23)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.77
ERBB2 P04626 2/20 0.73
EPHA2 P29317 1/20 0.73
KDR P35968 1/20 0.73
EPHB4 P54760 1/20 0.73

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
SCHEMBL13606789 1.00 EGFR (0.77) EGFRERBB2EPHA2KDREPHB4
SCHEMBL4524312 1.00 EGFR (0.77) EGFRERBB2EPHA2KDREPHB4
SCHEMBL13606791 1.00 EGFR (0.77) EGFRERBB2EPHA2KDREPHB4
SCHEMBL4523013 1.00 EGFR (0.77) EGFRERBB2EPHA2KDREPHB4
SCHEMBL1446388 0.95 KDR (0.81) EGFRERBB2EPHA2KDREPHB4
SCHEMBL1446086 0.95 KDR (0.81) EGFRERBB2EPHA2KDREPHB4
SCHEMBL1446083 0.95 KDR (0.81) EGFRERBB2EPHA2KDREPHB4
SCHEMBL13606795 0.94 EGFR (0.69) EGFRERBB2EPHA2KDREPHB4
SCHEMBL13606793 0.94 EGFR (0.72) EGFRERBB2EPHA2KDREPHB4
SCHEMBL5906958 0.94 FBP1 (0.73) EGFRERBB2EPHA2KDREPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306105-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US disclosed
US-20090306105-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US disclosed
US-20090306105-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US disclosed
EP-1996561-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM Boehringer Ingelheim International GmbH (DE) 2008-12-03 EP disclosed
WO-2007101782-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-13 WO disclosed
WO-2007101782-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-13 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 (1 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-20090306105-A1 Bicyclic heterocycles, medicaments containing these compounds, their use and process for preparing them BPHL, CYP11B2, MAP3K1 EGFR 508/4885ERBB2 161/4885EPHA2 3483/4885

“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.