SCHEMBL20050180

SCHEMBL20050180

COc1cc2c(C)ncnc2cc1I

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.43
ENPP1 P22413 2/20 0.42
EGFR P00533 10/20 0.42
CSF1R P07333 2/20 0.41
LCK P06239 2/20 0.41
GAK O14976 1/20 0.40
SRC P12931 1/20 0.40
RET P07949 1/20 0.40
FLT1 P17948 1/20 0.40
CLK1 P49759 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL1260737 0.85 ENPP1 (0.54) KDRENPP1EGFRCSF1RLCK
SCHEMBL20051017 0.84 PDE10A (0.43) KDRENPP1EGFRLCKGAK
SCHEMBL12779104 0.82 KDR (0.48) KDRENPP1EGFRCSF1RLCK
SCHEMBL23501083 0.81 ENPP1 (0.63) KDRENPP1EGFRCSF1RLCK
SCHEMBL23500791 0.81 RET (0.43) KDRENPP1EGFRLCKGAK
SCHEMBL11315816 0.79 EGFR (0.52) KDREGFRLCKGAKRET
SCHEMBL7861691 0.79 LCK (0.44) KDRENPP1EGFRCSF1RLCK
SCHEMBL24393302 0.77 ENPP1 (0.54) KDRENPP1EGFRCSF1RLCK
SCHEMBL24393297 0.77 ENPP1 (0.70) KDRENPP1EGFRCSF1RLCK
SCHEMBL24009138 0.76 EGFR (0.54) KDRENPP1EGFRCSF1RSRC

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-20180099946-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2018-04-12 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-20180099946-A1 Quinazoline Derivatives as VEGF Inhibitors FLT4, FLT1, KDR KDR 3/4885ENPP1 3518/4885EGFR 199/4885

“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.