SCHEMBL18013028

SCHEMBL18013028

FC(F)OCCOc1cc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2cc1OCCOC(F)F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.56
▸ KDR P35968 3/20 0.56
▸ KDM1A O60341 1/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ CNR1 P21554 1/20 0.50
▸ GAK O14976 1/20 0.49
▸ ERBB2 P04626 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
SCHEMBL19885280 0.92 EGFR (0.69) EGFRKDRKDM1AGAK
SCHEMBL18012075 0.81 FBP1 (0.72) EGFRKDRERBB2
SCHEMBL19885305 0.81 EGFR (0.58) EGFRKDRERBB2
SCHEMBL18013027 0.81 EGFR (0.68) EGFRKDRKDM1AABCG2GAK
SCHEMBL5864703 0.80 EGFR (0.84) EGFRKDRABCG2GAK
SCHEMBL18012882 0.80 FBP1 (0.69) EGFRKDR
SCHEMBL18013053 0.78 RET (0.53) EGFRKDR
SCHEMBL19885272 0.78 EGFR (0.64) EGFRKDRERBB2
SCHEMBL17967502 0.77 EGFR (0.76) EGFRKDRKDM1AABCG2GAK
SCHEMBL18012076 0.77 EGFR (0.79) EGFRKDRERBB2

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 EGFR 1/4885KDR 339/4885KDM1A 3576/4885

“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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