SCHEMBL19100079

SCHEMBL19100079

O=C(/C=C/CN1CC(F)(F)C1)Nc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OCCOC(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.56
ERBB2 P04626 16/20 0.56
ERBB4 Q15303 8/20 0.54
KDR P35968 2/20 0.53
LCK P06239 2/20 0.51
SRC P12931 2/20 0.51
ABL1 P00519 1/20 0.51
RAF1 P04049 1/20 0.51
RET P07949 1/20 0.51
FGFR2 P21802 1/20 0.51
FLT4 P35916 1/20 0.51
TEK Q02763 1/20 0.51
JAK3 P52333 2/20 0.50
GAK O14976 1/20 0.50
RIPK2 O43353 1/20 0.50
NR1I2 O75469 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2C P18825 1/20 0.50

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
SCHEMBL19100094 0.91 EGFR (0.66) EGFRERBB2ERBB4KDRLCK
SCHEMBL19100269 0.91 EGFR (0.64) EGFRERBB2ERBB4LCKSRC
SCHEMBL19100418 0.90 EGFR (0.64) EGFRERBB2ERBB4KDRLCK
SCHEMBL19100256 0.89 EGFR (0.58) EGFRERBB2ERBB4KDRLCK
SCHEMBL19100045 0.88 EGFR (0.56) EGFRERBB2ERBB4KDRLCK
SCHEMBL19100271 0.88 EGFR (0.71) EGFRERBB2ERBB4LCKSRC
SCHEMBL19100193 0.85 EGFR (0.68) EGFRERBB2KDR
Maleic Acid SCHEMBL20637511 0.83 EGFR (0.65) EGFRERBB2ERBB4KDRLCK
SCHEMBL19100190 0.83 EGFR (0.67) EGFRERBB2ERBB4KDRLCK
SCHEMBL19100459 0.82 EGFR (0.70) EGFRERBB2ERBB4KDRLCK

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 6 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 claimed
EP-3400216-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS Trillium Therapeutics Inc. (CA) 2018-11-14 EP claimed
WO-2017117680-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2017-07-13 WO claimed
US-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2019-01-17 US disclosed
US-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2019-01-17 US 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 1/4885ERBB2 2/4885ERBB4 3/4885

“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.