SCHEMBL12604686

SCHEMBL12604686

[2H]C([2H])([2H])Oc1cc2c(Cl)ccnc2cc1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.39
KDR P35968 3/20 0.39
FLT1 P17948 2/20 0.39
PDGFRA P16234 2/20 0.39
EPHB2 P29323 1/20 0.39
FLT4 P35916 1/20 0.39
CGAS Q8N884 1/20 0.38
TLR8 Q9NR97 2/20 0.37
FGFR1 P11362 1/20 0.37
RET P07949 3/20 0.36
KIF5B P33176 3/20 0.36
EGFR P00533 2/20 0.36
ERBB2 P04626 1/20 0.35
PDGFRB P09619 1/20 0.35

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
SCHEMBL382814 0.89 SRC (0.48) SRCKDRFLT1PDGFRACGAS
SCHEMBL29612582 0.89 SRC (0.48) SRCKDRFLT1PDGFRACGAS
SCHEMBL2064039 0.83 SRC (0.48) SRCKDRFLT1PDGFRACGAS
SCHEMBL23597420 0.78 EGFR (0.47) SRCKDRPDGFRARETKIF5B
SCHEMBL30498652 0.78 EGFR (0.47) SRCKDRPDGFRARETKIF5B
SCHEMBL4020394 0.78 ENPP1 (0.51) KDRFLT1RETKIF5BEGFR
SCHEMBL29576809 0.77 TLR8 (0.43) TLR8EGFR
SCHEMBL2748326 0.77 TLR8 (0.43) TLR8EGFR
SCHEMBL10296329 0.76 PDGFRB (0.55) SRCPDGFRAEGFRPDGFRB
SCHEMBL29576504 0.76 SRC (0.60) SRCPDGFRACGASEGFRPDGFRB

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-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 SRC 203/4885KDR 1/4885FLT1 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.