SCHEMBL19123928

SCHEMBL19123928

O=C(/C=C/CN1CCC(OC(F)F)CC1)Nc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OCCOC(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.63
ERBB2 P04626 14/20 0.63
ERBB4 Q15303 7/20 0.57
RAF1 P04049 1/20 0.55
FLT1 P17948 1/20 0.55
FGFR2 P21802 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
TEK Q02763 1/20 0.55
GAK O14976 1/20 0.54
RIPK2 O43353 1/20 0.54
NR1I2 O75469 1/20 0.54
LCK P06239 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
SRC P12931 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2C P18825 1/20 0.54
SLC6A2 P23975 1/20 0.54
MC3R P41968 1/20 0.54

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
SCHEMBL19100275 0.95 EGFR (0.66) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL19124118 0.92 EGFR (0.73) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL19100423 0.91 EGFR (0.67) EGFRERBB2ERBB4RAF1FLT1
SCHEMBL19100045 0.91 EGFR (0.56) EGFRERBB2ERBB4RAF1FGFR2
SCHEMBL19100063 0.90 EGFR (0.67) EGFRERBB2ERBB4FLT1KDR
SCHEMBL19100051 0.90 EGFR (0.72) EGFRERBB2ERBB4GAKRIPK2
Maleic Acid SCHEMBL20637506 0.89 EGFR (0.64) EGFRERBB2ERBB4RAF1FLT1
SCHEMBL19100269 0.88 EGFR (0.64) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL19100455 0.87 EGFR (0.73) EGFRERBB2ERBB4GAKRIPK2
SCHEMBL19100190 0.86 EGFR (0.67) EGFRERBB2ERBB4KDRGAK

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 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.