SCHEMBL4219212

SCHEMBL4219212

Oc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCC1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.66
KDR P35968 6/20 0.64
EPHB4 P54760 6/20 0.64
EPHA2 P29317 5/20 0.64
FBP1 P09467 2/20 0.60
ERBB2 P04626 6/20 0.59
AURKA O14965 1/20 0.59
INSR P06213 1/20 0.59
PDGFRB P09619 1/20 0.59
FLT4 P35916 1/20 0.59
CLK1 P49759 1/20 0.59
TEK Q02763 1/20 0.59
AURKB Q96GD4 1/20 0.59
ERBB4 Q15303 1/20 0.55
RAF1 P04049 1/20 0.54
BRAF P15056 1/20 0.54

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
SCHEMBL5230914 0.96 EGFR (0.66) EGFRKDREPHB4EPHA2FBP1
SCHEMBL6989211 0.96 EGFR (0.68) EGFRKDREPHB4EPHA2FBP1
SCHEMBL5230552 0.92 EGFR (0.68) EGFRKDREPHB4EPHA2FBP1
SCHEMBL1418424 0.89 EGFR (0.66) EGFRKDREPHB4EPHA2FBP1
SCHEMBL1418776 0.88 KDR (0.66) EGFRKDREPHB4EPHA2FBP1
SCHEMBL1417760 0.87 EGFR (0.66) EGFRKDREPHB4EPHA2FBP1
SCHEMBL6993684 0.87 EGFR (0.63) EGFRKDREPHB4EPHA2FBP1
SCHEMBL7221348 0.87 EGFR (0.70) EGFRKDREPHB4EPHA2FBP1
SCHEMBL6998297 0.87 EGFR (0.70) EGFRKDREPHB4EPHA2FBP1
SCHEMBL4224122 0.87 EGFR (0.65) 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 6 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
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
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 (3 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

“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.