SCHEMBL18012882

SCHEMBL18012882

FC(F)OCCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCOC(F)F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.69
EGFR P00533 12/20 0.68
KDM4E B2RXH2 2/20 0.65
MAPT P10636 2/20 0.65
MAPK1 P28482 2/20 0.65
MEN1 O00255 1/20 0.65
GMNN O75496 1/20 0.65
ALDH1A1 P00352 1/20 0.65
ABL1 P00519 1/20 0.65
LMNA P02545 1/20 0.65
RAF1 P04049 1/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
GLA P06280 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
SRC P12931 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
NFKB1 P19838 1/20 0.65

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
SCHEMBL18012089 0.95 EGFR (0.75) FBP1EGFRKDM4EMAPTMAPK1
SCHEMBL18013033 0.92 EGFR (0.69) FBP1EGFRKDM4EMAPTMAPK1
SCHEMBL18012075 0.86 FBP1 (0.72) FBP1EGFRKDR
SCHEMBL17967502 0.85 EGFR (0.76) FBP1EGFRMAPTALDH1A1ABL1
SCHEMBL19885292 0.84 EGFR (0.74) FBP1EGFRKDM4EMAPTMAPK1
SCHEMBL8258194 0.83 EGFR (0.83) FBP1EGFRKDM4EMAPTMAPK1
SCHEMBL18012076 0.82 EGFR (0.79) FBP1EGFRKDR
SCHEMBL19885305 0.82 EGFR (0.58) FBP1EGFRKDR
SCHEMBL17967506 0.82 FLT1 (0.77) EGFRKDR
SCHEMBL5606140 0.82 FBP1 (1.00) FBP1EGFRKDM4EMAPTMAPK1

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-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 US disclosed
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 US disclosed
US-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2018-02-22 US disclosed
WO-2016123706-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS TRILLIUM THERAPEUTICS INC. (CA) 2016-08-11 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-20180050993-A1 NOVEL FLUORINATED DERIVATIVES AS EGFR INHIBITORS USEFUL FOR TREATING CANCERS EGFR, ERBB2, ERBB4 FBP1 213/4885EGFR 1/4885KDM4E 3996/4885

“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.