SCHEMBL19100077

SCHEMBL19100077

O=[N+]([O-])c1cc2c(Nc3cccc(Br)c3F)ncnc2cc1OCCOC(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.52
▸ EGFR P00533 12/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ RET P07949 1/20 0.43
▸ KIF5B P33176 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ HDAC3 O15379 4/20 0.42
▸ HDAC4 P56524 4/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC7 Q8WUI4 4/20 0.42
▸ HDAC2 Q92769 4/20 0.42
▸ HDAC10 Q969S8 4/20 0.42
▸ HDAC11 Q96DB2 4/20 0.42
▸ HDAC8 Q9BY41 4/20 0.42
▸ HDAC6 Q9UBN7 4/20 0.42
▸ HDAC9 Q9UKV0 4/20 0.42
▸ HDAC5 Q9UQL6 4/20 0.42
▸ ERBB2 P04626 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL19123892 0.90 KCNH2 (0.51) FBP1EGFRABCG2ERBB2CYP2D6
SCHEMBL19100410 0.85 ABCG2 (0.46) FBP1EGFRABCG2RETKIF5B
SCHEMBL19100462 0.84 EGFR (0.52) EGFRABCG2RETKDRERBB2
SCHEMBL19125349 0.84 KDR (0.49) FBP1EGFRABCG2KDRERBB2
SCHEMBL19124251 0.81 EGFR (0.60) FBP1EGFRABCG2RETKIF5B
Hydrochloric Acid SCHEMBL20637515 0.80 EGFR (0.59) FBP1EGFRABCG2RETKIF5B
SCHEMBL4578485 0.80 EGFR (0.51) FBP1EGFRABCG2RETKIF5B
SCHEMBL20637508 0.80 EGFR (0.58) FBP1EGFRABCG2RETKIF5B
SCHEMBL4576844 0.78 EGFR (0.52) FBP1EGFRABCG2ERBB2CYP2D6
SCHEMBL5095200 0.77 EGFR (0.56) EGFRKDR

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 FBP1 666/4885EGFR 1/4885ABCG2 225/4885

“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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