SCHEMBL4279750

SCHEMBL4279750

O=C(O)Nc1cc(C(F)(F)F)ccn1.O=C1C=CC=CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 3/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RIOK2 Q9BVS4 1/20 0.45
AR P10275 1/20 0.43
KDR P35968 1/20 0.43
CLK2 P49760 1/20 0.43
IRAK1 P51617 1/20 0.43
NEK4 P51957 1/20 0.43
MAP4K2 Q12851 1/20 0.43
HIPK4 Q8NE63 1/20 0.43
SRPK1 Q96SB4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAP3K20 Q9NYL2 1/20 0.43
STK17A Q9UEE5 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
PHGDH O43175 2/20 0.41
EPAS1 Q99814 1/20 0.41

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
SCHEMBL31264157 0.83 ALDH1A1 (0.56) SORT1ALDH1A1GAAL3MBTL1RIOK2
SCHEMBL2635853 0.83 ALDH1A1 (0.56) SORT1ALDH1A1GAAL3MBTL1RIOK2
SCHEMBL2640650 0.76 NOS3 (0.63) SORT1ALDH1A1GAAL3MBTL1RIOK2
SCHEMBL14635931 0.75 KDR (0.49) SORT1ALDH1A1GAAL3MBTL1RIOK2
SCHEMBL4279542 0.75 AR (0.42) ARKDRIDH2
SCHEMBL3192275 0.73 L3MBTL1 (0.55) SORT1ALDH1A1GAAL3MBTL1RIOK2
SCHEMBL2635471 0.72 NR3C2 (0.47) SORT1ALDH1A1GAAL3MBTL1AR
SCHEMBL16637563 0.71 KDR (0.55) SORT1ALDH1A1GAAL3MBTL1RIOK2
SCHEMBL16253003 0.71 AR (0.58) SORT1ALDH1A1GAAL3MBTL1RIOK2
SCHEMBL30875900 0.70 NR3C2 (0.67) SORT1ALDH1A1GAAL3MBTL1RIOK2

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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 SORT1 3402/4885ALDH1A1 2646/4885GAA 4716/4885

“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.