SCHEMBL4096274

SCHEMBL4096274

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCOC1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(C)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.84
KDR P35968 7/20 0.65
EPHB4 P54760 6/20 0.65
ERBB2 P04626 5/20 0.65
EPHA2 P29317 4/20 0.65
FGFR1 P11362 1/20 0.64
FLT1 P17948 1/20 0.64
FLT4 P35916 2/20 0.61
AURKA O14965 1/20 0.61
INSR P06213 1/20 0.61
FBP1 P09467 1/20 0.61
PDGFRB P09619 1/20 0.61
CLK1 P49759 1/20 0.61
TEK Q02763 1/20 0.61
AURKB Q96GD4 1/20 0.61
CIT O14578 1/20 0.61
GAK O14976 1/20 0.61
EPHB6 O15197 1/20 0.61
ABCC4 O15439 1/20 0.61
DAPK3 O43293 1/20 0.61

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
SCHEMBL2704818 0.94 KDR (0.73) EGFRKDREPHB4ERBB2EPHA2
SCHEMBL29623391 0.94 KDR (0.73) EGFRKDREPHB4ERBB2EPHA2
SCHEMBL120714 0.94 KDR (0.73) EGFRKDREPHB4ERBB2EPHA2
SCHEMBL29623536 0.91 EGFR (1.00) EGFRKDREPHB4ERBB2EPHA2
SCHEMBL185721 0.91 EGFR (1.00) EGFRKDREPHB4ERBB2EPHA2
SCHEMBL13606795 0.90 EGFR (0.69) EGFRKDREPHB4ERBB2EPHA2
SCHEMBL1446083 0.89 KDR (0.81) EGFRKDREPHB4ERBB2EPHA2
SCHEMBL1446086 0.89 KDR (0.81) EGFRKDREPHB4ERBB2EPHA2
SCHEMBL1446388 0.89 KDR (0.81) EGFRKDREPHB4ERBB2EPHA2
SCHEMBL4089106 0.88 EGFR (0.64) EGFRKDREPHB4ERBB2EPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US claimed

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-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 EGFR 53/4885KDR 436/4885EPHB4 195/4885

“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.