SCHEMBL18013029

SCHEMBL18013029

Fc1ccccc1Nc1ncnc2cc(OCCOC(F)F)c(OCCOC(F)F)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.69
▸ KDR P35968 14/20 0.66
▸ FLT1 P17948 5/20 0.66
▸ HDAC3 O15379 4/20 0.60
▸ HDAC4 P56524 4/20 0.60
▸ HDAC1 Q13547 4/20 0.60
▸ HDAC7 Q8WUI4 4/20 0.60
▸ HDAC2 Q92769 4/20 0.60
▸ HDAC10 Q969S8 4/20 0.60
▸ HDAC11 Q96DB2 4/20 0.60
▸ HDAC8 Q9BY41 4/20 0.60
▸ HDAC6 Q9UBN7 4/20 0.60
▸ HDAC9 Q9UKV0 4/20 0.60
▸ HDAC5 Q9UQL6 4/20 0.60
▸ FGFR1 P11362 2/20 0.54
▸ FLT4 P35916 1/20 0.54
▸ BRD4 O60885 1/20 0.49
▸ ERBB2 P04626 1/20 0.49
▸ ERBB4 Q15303 1/20 0.49
▸ RET P07949 2/20 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
SCHEMBL18013020 0.88 KDR (0.59) EGFRKDRFLT1HDAC3HDAC4
SCHEMBL18013053 0.88 RET (0.53) EGFRKDRFLT1FGFR1RET
SCHEMBL17967506 0.86 FLT1 (0.77) EGFRKDRFLT1FGFR1FLT4
SCHEMBL19885264 0.86 KDR (0.62) EGFRKDRFLT1FGFR1FLT4
SCHEMBL18013027 0.86 EGFR (0.68) EGFRKDRFLT1HDAC3HDAC4
SCHEMBL18012083 0.85 KCNH2 (0.63) EGFRKDRFLT1ERBB2
SCHEMBL19885271 0.85 KDR (0.54) EGFRKDRFLT1HDAC3HDAC4
SCHEMBL19885290 0.83 KDR (0.58) EGFRKDRFLT1FGFR1FLT4
SCHEMBL17967491 0.83 KDR (0.61) EGFRKDRFLT1FGFR1FLT4
SCHEMBL18013058 0.83 EGFR (0.59) EGFRKDRFLT1FGFR1FLT4

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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