SCHEMBL1781194

SCHEMBL1781194

[2H]C([2H])([2H])Oc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.67
EGFR P00533 17/20 0.67
FGFR1 P11362 7/20 0.67
FLT1 P17948 7/20 0.67
FLT4 P35916 7/20 0.67
PDGFRB P09619 2/20 0.67
TEK Q02763 2/20 0.67
EPHA2 P29317 2/20 0.67
EPHB4 P54760 2/20 0.67
RET P07949 2/20 0.67
BMPR1B O00238 1/20 0.67
PLK4 O00444 1/20 0.67
CIT O14578 1/20 0.67
GAK O14976 1/20 0.67
EPHB6 O15197 1/20 0.67
RIPK2 O43353 1/20 0.67
ROCK2 O75116 1/20 0.67
STK10 O94804 1/20 0.67
MAP4K4 O95819 1/20 0.67
ABL1 P00519 1/20 0.67

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
SCHEMBL1614506 0.95 KDR (0.75) KDREGFRFGFR1FLT1FLT4
SCHEMBL1781457 0.94 KDR (0.58) KDREGFRFGFR1FLT1FLT4
SCHEMBL2055590 0.88 KDR (0.75) KDREGFRFGFR1FLT1FLT4
SCHEMBL13617346 0.87 KDR (0.61) KDREGFRFGFR1FLT1FLT4
Vandetanib SCHEMBL1783178 0.86 EGFR (0.89) KDREGFRFGFR1FLT1FLT4
SCHEMBL13617552 0.86 KDR (0.75) KDREGFRFGFR1FLT1FLT4
SCHEMBL13617590 0.86 KDR (0.65) KDREGFRFGFR1FLT1FLT4
SCHEMBL2136853 0.86 KDR (0.74) KDREGFRFGFR1FLT1FLT4
SCHEMBL3152430 0.85 KDR (0.80) KDREGFRFGFR1FLT1FLT4
SCHEMBL13163378 0.85 KDR (0.75) 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.