SCHEMBL20051017

SCHEMBL20051017

COc1cc2c(I)ncnc2cc1I

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
ENPP1 P22413 2/20 0.43
EGFR P00533 12/20 0.43
LCK P06239 5/20 0.42
KDR P35968 2/20 0.41
GAK O14976 1/20 0.41
SRC P12931 1/20 0.41
RET P07949 1/20 0.41
CLK1 P49759 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
FLT1 P17948 1/20 0.41
FLT3 P36888 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 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
SCHEMBL19933282 0.89 ENPP1 (0.53) PDE10AENPP1EGFRLCKKDR
SCHEMBL20813470 0.84 EGFR (0.52) EGFRLCKKDRGAKRET
SCHEMBL20050180 0.84 KDR (0.43) ENPP1EGFRLCKKDRGAK
SCHEMBL23501083 0.83 ENPP1 (0.63) ENPP1EGFRLCKKDRSRC
SCHEMBL23500791 0.83 RET (0.43) PDE10AENPP1EGFRLCKKDR
SCHEMBL20813476 0.81 EGFR (0.52) EGFRLCKKDRGAKRET
SCHEMBL21614043 0.76 RET (0.43) PDE10AENPP1EGFRLCKKDR
SCHEMBL856568 0.76 ENPP1 (0.63) ENPP1EGFRLCKKDRSRC
SCHEMBL30264799 0.76 ENPP1 (0.63) ENPP1EGFRLCKKDRSRC
SCHEMBL3301604 0.75 KDM1A (0.58) EGFRKDRGAKFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276972-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2021-09-09 US disclosed
US-10457664-B2 Quinazoline derivatives as VEGF inhibitors GENZYME CORPORATION (US) 2019-10-29 US disclosed
US-20190002433-A1 Quinazoline Derivatives as VEGF Inhibitors GENZYME CORPORATION (US) 2019-01-03 US disclosed
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 (4 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 PDE10A 2058/4885ENPP1 3518/4885EGFR 199/4885
US-20210276972-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR PDE10A 2482/4885ENPP1 3087/4885EGFR 207/4885
US-10457664-B2 Quinazoline derivatives as VEGF inhibitors FLT1, FLT4, KDR PDE10A 2162/4885ENPP1 3683/4885EGFR 179/4885
US-20190002433-A1 Quinazoline Derivatives as VEGF Inhibitors FLT1, FLT4, KDR PDE10A 2162/4885ENPP1 3683/4885EGFR 179/4885

“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.