SCHEMBL1782681

SCHEMBL1782681

[2H]C([2H])([2H])Oc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCNCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.75
EGFR P00533 15/20 0.75
FGFR1 P11362 13/20 0.75
FLT1 P17948 13/20 0.75
FLT4 P35916 13/20 0.75
EPHA2 P29317 4/20 0.71
RET P07949 3/20 0.71
EPHB4 P54760 3/20 0.71
PDGFRB P09619 2/20 0.71
TEK Q02763 2/20 0.71
KIF5B P33176 2/20 0.71
BMPR1B O00238 1/20 0.71
PLK4 O00444 1/20 0.71
CIT O14578 1/20 0.71
GAK O14976 1/20 0.71
EPHB6 O15197 1/20 0.71
RIPK2 O43353 1/20 0.71
ROCK2 O75116 1/20 0.71
STK10 O94804 1/20 0.71
MAP4K4 O95819 1/20 0.71

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
SCHEMBL1612820 0.94 KDR (0.84) KDREGFRFGFR1FLT1FLT4
SCHEMBL31319937 0.94 KDR (0.84) KDREGFRFGFR1FLT1FLT4
SCHEMBL4025000 0.92 KDR (0.73) KDREGFRFGFR1FLT1FLT4
Vandetanib SCHEMBL1783178 0.89 EGFR (0.89) KDREGFRFGFR1FLT1FLT4
SCHEMBL13458879 0.86 KDR (0.66) KDREGFRFGFR1FLT1FLT4
SCHEMBL5424040 0.85 KDR (1.00) KDREGFRFGFR1FLT1FLT4
SCHEMBL2136908 0.85 EGFR (1.00) KDREGFRFGFR1FLT1FLT4
SCHEMBL2140901 0.84 FLT1 (0.98) KDREGFRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL27218181 0.84 FLT1 (1.00) KDREGFRFGFR1FLT1FLT4
SCHEMBL17520370 0.83 KDR (0.79) KDREGFRFGFR1FLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609673-B2 Vandetanib derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-12-17 US disclosed
US-20110117084-A1 VANDETANIB DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
WO-2009094210-A1 VANDETANIB DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2009-07-30 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-20110117084-A1 VANDETANIB DERIVATIVES KDR, VHL, FLT4 KDR 1/4885EGFR 17/4885FGFR1 19/4885

“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.