Vandetanib

Vandetanib

SCHEMBL1783321

[2H]C([2H])N1C([2H])([2H])C([2H])([2H])C(C([2H])([2H])Oc2cc3ncnc(Nc4ccc(Br)cc4F)c3cc2OC([2H])([2H])[2H])C([2H])([2H])C1([2H])[2H]

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

EGFREPHA1EPHA10EPHA2EPHA3EPHA4EPHA5EPHA6EPHA7EPHA8EPHB1EPHB2EPHB3EPHB4EPHB6ERBB2ERBB3ERBB4FLT1FLT4KDRPTK6RETSRCTEK

The experimentally established mechanism targets of Vandetanib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR known ✓ P35968 15/20 0.60
EGFR known ✓ P00533 13/20 0.60
FLT1 known ✓ P17948 10/20 0.60
FLT4 known ✓ P35916 10/20 0.60
EPHA2 known ✓ P29317 4/20 0.60
RET known ✓ P07949 3/20 0.60
EPHB4 known ✓ P54760 3/20 0.60
TEK known ✓ Q02763 2/20 0.60
EPHB6 known ✓ O15197 1/20 0.60
ERBB2 known ✓ P04626 1/20 0.60
SRC known ✓ P12931 1/20 0.60
EPHA1 known ✓ P21709 1/20 0.60
ERBB3 known ✓ P21860 1/20 0.60
EPHA3 known ✓ P29320 1/20 0.60
EPHA8 known ✓ P29322 1/20 0.60
EPHB2 known ✓ P29323 1/20 0.60
EPHA5 known ✓ P54756 1/20 0.60
EPHB1 known ✓ P54762 1/20 0.60
EPHA4 known ✓ P54764 1/20 0.60
PTK6 known ✓ Q13882 1/20 0.60

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
Vandetanib SCHEMBL1783463 0.87 EGFR (0.76) KDREGFRFGFR1FLT1FLT4
SCHEMBL4025000 0.85 KDR (0.73) KDREGFRFGFR1FLT1FLT4
SCHEMBL4171108 0.82 KDR (0.62) KDREGFRFGFR1FLT1FLT4
Vandetanib SCHEMBL1783178 0.81 EGFR (0.89) KDREGFRFGFR1FLT1FLT4
SCHEMBL1781457 0.79 KDR (0.58) KDREGFRFGFR1FLT1FLT4
SCHEMBL1782681 0.79 KDR (0.75) KDREGFRFGFR1FLT1FLT4
SCHEMBL12604729 0.78 RET (0.66) KDREGFRFGFR1FLT1FLT4
Hydrochloric Acid SCHEMBL1782686 0.77 KDR (0.68) KDREGFRFGFR1FLT1FLT4
SCHEMBL12604711 0.76 RET (0.84) KDREGFRFGFR1FLT1FLT4
SCHEMBL5864525 0.76 KDR (1.00) 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 2 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

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 17/4885FLT1 4/4885

“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.