SCHEMBL19100256

SCHEMBL19100256

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.58
▸ KDR P35968 3/20 0.58
▸ ERBB2 P04626 12/20 0.55
▸ ABL1 P00519 1/20 0.52
▸ RAF1 P04049 1/20 0.52
▸ LCK P06239 1/20 0.52
▸ RET P07949 1/20 0.52
▸ SRC P12931 1/20 0.52
▸ FGFR2 P21802 1/20 0.52
▸ FLT4 P35916 1/20 0.52
▸ TEK Q02763 1/20 0.52
▸ HDAC1 Q13547 3/20 0.51
▸ HDAC2 Q92769 3/20 0.51
▸ ERBB4 Q15303 1/20 0.48

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
SCHEMBL19100267 0.91 EGFR (0.61) EGFRKDRERBB2
SCHEMBL19100193 0.90 EGFR (0.68) EGFRKDRERBB2
SCHEMBL19125881 0.89 EGFR (0.58) EGFRKDRERBB2
SCHEMBL19100079 0.89 EGFR (0.56) EGFRKDRERBB2ABL1RAF1
Maleic Acid SCHEMBL20637511 0.88 EGFR (0.65) EGFRKDRERBB2ABL1LCK
SCHEMBL19100094 0.88 EGFR (0.66) EGFRKDRERBB2ABL1RAF1
SCHEMBL19126162 0.87 EGFR (0.49) EGFRKDRERBB2
SCHEMBL19100418 0.87 EGFR (0.64) EGFRKDRERBB2ABL1LCK
SCHEMBL19100043 0.86 EGFR (0.49) EGFRKDRERBB2
SCHEMBL19124184 0.86 EGFR (0.73) EGFRERBB2ERBB4

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 5 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
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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