SCHEMBL18013053

SCHEMBL18013053

Fc1cccc(F)c1Nc1ncnc2cc(OCCOC(F)F)c(OCCOC(F)F)cc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 9/20 0.53
▸ KIF5B P33176 5/20 0.53
▸ EGFR P00533 7/20 0.52
▸ FLT1 P17948 3/20 0.50
▸ KDR P35968 3/20 0.50
▸ FGFR1 P11362 1/20 0.49
▸ FBP1 P09467 1/20 0.49

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
SCHEMBL18013043 0.90 RET (0.49) RETKIF5BEGFRFLT1KDR
SCHEMBL18013029 0.88 EGFR (0.69) RETKIF5BEGFRFLT1KDR
SCHEMBL19885278 0.88 RET (0.52) RETKIF5BEGFRFLT1KDR
SCHEMBL18012083 0.82 KCNH2 (0.63) EGFRFLT1KDR
SCHEMBL19885271 0.82 KDR (0.54) RETKIF5BEGFRFLT1KDR
SCHEMBL18012882 0.81 FBP1 (0.69) EGFRKDRFBP1
SCHEMBL17967506 0.81 FLT1 (0.77) EGFRFLT1KDRFGFR1
SCHEMBL18012075 0.81 FBP1 (0.72) EGFRKDRFBP1
SCHEMBL19885264 0.81 KDR (0.62) RETKIF5BEGFRFLT1KDR
SCHEMBL19885305 0.81 EGFR (0.58) RETKIF5BEGFRKDRFBP1

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 RET 49/4885KIF5B 1171/4885EGFR 1/4885

“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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