SCHEMBL19100462

SCHEMBL19100462

O=[N+]([O-])c1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OCCOC(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.52
▸ KDR P35968 8/20 0.52
▸ ERBB2 P04626 9/20 0.45
▸ EPHB4 P54760 7/20 0.45
▸ EPHA2 P29317 6/20 0.45
▸ FLT1 P17948 5/20 0.45
▸ RIPK2 O43353 2/20 0.45
▸ RET P07949 2/20 0.45
▸ EPHB2 P29323 2/20 0.45
▸ EPHA4 P54764 2/20 0.45
▸ BTK Q06187 2/20 0.45
▸ RIPK3 Q9Y572 2/20 0.45
▸ GAK O14976 1/20 0.45
▸ EPHB6 O15197 1/20 0.45
▸ STK10 O94804 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ YES1 P07947 1/20 0.45
▸ LYN P07948 1/20 0.45

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
SCHEMBL19125349 0.93 KDR (0.49) EGFRKDRERBB2EPHB4EPHA2
SCHEMBL19123892 0.90 KCNH2 (0.51) EGFRERBB2KCNH2ABCG2
SCHEMBL16212500 0.90 KDR (0.57) EGFRKDRERBB2EPHB4EPHA2
SCHEMBL17967489 0.88 EGFR (0.57) EGFRKDRERBB2EPHB4EPHA2
SCHEMBL16212779 0.87 FBP1 (0.58) EGFRKDRERBB2EPHB4EPHA2
SCHEMBL19100062 0.85 EGFR (0.53) EGFRKDRERBB2EPHB4EPHA2
SCHEMBL16212241 0.85 EGFR (0.63) EGFRKDRERBB2EPHB4EPHA2
SCHEMBL19100077 0.84 FBP1 (0.52) EGFRKDRERBB2RETKCNH2
SCHEMBL18012086 0.84 EGFR (0.63) EGFRKDRERBB2EPHB4EPHA2
SCHEMBL19125747 0.84 EGFR (0.55) EGFRKDRERBB2EPHB4EPHA2

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 EGFR 1/4885KDR 202/4885ERBB2 2/4885

“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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