SCHEMBL19885271

SCHEMBL19885271

Cc1cccc(Nc2ncnc3cc(OCCOC(F)F)c(OCCOC(F)F)cc23)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.54
▸ RET P07949 2/20 0.54
▸ KIF5B P33176 2/20 0.54
▸ EGFR P00533 10/20 0.53
▸ KCNH2 Q12809 2/20 0.51
▸ ERBB2 P04626 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ FLT1 P17948 3/20 0.51
▸ FGFR1 P11362 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ FBP1 P09467 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL19885289 0.96 KDR (0.61) KDRRETKIF5BEGFRKCNH2
SCHEMBL19124188 0.92 KDR (0.48) KDRRETKIF5BEGFRKCNH2
SCHEMBL18012083 0.88 KCNH2 (0.63) KDREGFRKCNH2ERBB2CYP2D6
SCHEMBL19885290 0.86 KDR (0.58) KDRRETKIF5BEGFRFLT1
SCHEMBL18012084 0.85 ERBB2 (0.70) KDRRETKIF5BEGFRKCNH2
SCHEMBL18013058 0.85 EGFR (0.59) KDRRETKIF5BEGFRKCNH2
SCHEMBL18013029 0.85 EGFR (0.69) KDRRETKIF5BEGFRERBB2
SCHEMBL19885304 0.85 KDR (0.57) KDRRETKIF5BEGFRKCNH2
SCHEMBL13750549 0.83 KDR (0.64) KDRRETKIF5BEGFRKCNH2
SCHEMBL19885264 0.82 KDR (0.62) KDRRETKIF5BEGFRFLT1

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 1 patent. 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

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 339/4885RET 49/4885KIF5B 1171/4885

“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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