SCHEMBL18013027

SCHEMBL18013027

FC(F)OCCOc1cc2ncnc(Nc3ccccc3C(F)(F)F)c2cc1OCCOC(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.68
▸ KDR P35968 8/20 0.48
▸ FLT1 P17948 4/20 0.48
▸ RET P07949 3/20 0.48
▸ HDAC3 O15379 5/20 0.46
▸ HDAC4 P56524 5/20 0.46
▸ HDAC1 Q13547 5/20 0.46
▸ HDAC7 Q8WUI4 5/20 0.46
▸ HDAC2 Q92769 5/20 0.46
▸ HDAC10 Q969S8 5/20 0.46
▸ HDAC11 Q96DB2 5/20 0.46
▸ HDAC8 Q9BY41 5/20 0.46
▸ HDAC6 Q9UBN7 5/20 0.46
▸ HDAC9 Q9UKV0 5/20 0.46
▸ HDAC5 Q9UQL6 5/20 0.46
▸ FLT4 P35916 2/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ PLK4 O00444 1/20 0.44
▸ CIT O14578 1/20 0.44
▸ AURKA O14965 1/20 0.44

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
SCHEMBL18013029 0.86 EGFR (0.69) EGFRKDRFLT1RETHDAC3
SCHEMBL18013020 0.85 KDR (0.59) EGFRKDRFLT1RETHDAC3
SCHEMBL5864606 0.81 EGFR (1.00) EGFRKDRFLT1RETFGFR1
SCHEMBL18013028 0.81 EGFR (0.56) EGFRKDRGAKKDM1AERBB2
SCHEMBL18012083 0.80 KCNH2 (0.63) EGFRKDRFLT1ERBB2EPHB4
SCHEMBL19885271 0.80 KDR (0.54) EGFRKDRFLT1RETHDAC3
SCHEMBL18013058 0.80 EGFR (0.59) EGFRKDRFLT1RETFLT4
SCHEMBL18013053 0.78 RET (0.53) EGFRKDRFLT1RETFGFR1
SCHEMBL19885289 0.77 KDR (0.61) EGFRKDRFLT1RETHDAC3
SCHEMBL17967506 0.77 FLT1 (0.77) EGFRKDRFLT1FLT4FGFR1

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 339/4885FLT1 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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