SCHEMBL19100410

SCHEMBL19100410

C[Si](C)(C)C#Cc1cccc(Nc2ncnc3cc(OCCOC(F)F)c([N+](=O)[O-])cc23)c1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.46
▸ FBP1 P09467 1/20 0.46
▸ EGFR P00533 12/20 0.43
▸ KDR P35968 2/20 0.41
▸ RET P07949 1/20 0.41
▸ KIF5B P33176 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ ERBB2 P04626 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ FLT1 P17948 1/20 0.37

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
SCHEMBL19100259 0.86 EGFR (0.44) EGFRKDRRETKIF5BKCNH2
SCHEMBL19100077 0.85 FBP1 (0.52) ABCG2FBP1EGFRKDRRET
SCHEMBL19123892 0.85 KCNH2 (0.51) ABCG2FBP1EGFRKCNH2ERBB2
SCHEMBL19100043 0.80 EGFR (0.49) EGFRKDRERBB2
SCHEMBL19100462 0.80 EGFR (0.52) ABCG2EGFRKDRRETKCNH2
SCHEMBL19125349 0.80 KDR (0.49) ABCG2FBP1EGFRKDRERBB2
SCHEMBL19100047 0.79 EGFR (0.58) EGFRKDRERBB2
SCHEMBL18013058 0.77 EGFR (0.59) ABCG2FBP1EGFRKDRRET
SCHEMBL19125882 0.76 KDR (0.43) EGFRKDRRETKIF5BKCNH2
SCHEMBL19885271 0.74 KDR (0.54) FBP1EGFRKDRRETKIF5B

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-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2019-01-17 — — US disclosed
EP-3400216-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS Trillium Therapeutics Inc. (CA) 2018-11-14 — — EP disclosed
WO-2017117680-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2017-07-13 — — WO disclosed
WO-2017117680-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2017-07-13 — — 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-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 ABCG2 225/4885FBP1 666/4885EGFR 1/4885

“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.

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