SCHEMBL18012080

SCHEMBL18012080

C=C(/C=C(\C)Cl)Nc1ncnc2cc(OCCOC(F)F)c(OCCOC(F)F)cc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.41
▸ EGFR P00533 13/20 0.41
▸ FLT1 P17948 3/20 0.40
▸ FGFR1 P11362 2/20 0.39
▸ FLT4 P35916 2/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ GAK O14976 1/20 0.39
▸ KDM1A O60341 1/20 0.38

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
SCHEMBL19885270 0.92 EGFR (0.43) KDREGFRFLT1FGFR1GAK
SCHEMBL19885278 0.71 RET (0.52) KDREGFRFLT1FGFR1FLT4
SCHEMBL18013020 0.70 KDR (0.59) KDREGFRFLT1FGFR1FLT4
SCHEMBL18013053 0.70 RET (0.53) KDREGFRFLT1FGFR1
SCHEMBL18012882 0.69 FBP1 (0.69) KDREGFR
SCHEMBL19885304 0.69 KDR (0.57) KDREGFRFLT1FGFR1FLT4
SCHEMBL18013029 0.69 EGFR (0.69) KDREGFRFLT1FGFR1FLT4
SCHEMBL18012075 0.69 FBP1 (0.72) KDREGFRFLT4
SCHEMBL19885264 0.69 KDR (0.62) KDREGFRFLT1FGFR1FLT4
SCHEMBL19885280 0.69 EGFR (0.69) KDREGFRGAKKDM1A

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 2 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
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 KDR 339/4885EGFR 1/4885FLT1 73/4885

“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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