SCHEMBL4946402

SCHEMBL4946402

NC(=O)c1[c]c(-c2ccc(-c3cc(F)c(O)c(F)c3)cc2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.43
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
VRK2 Q86Y07 1/20 0.38
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
VRK1 Q99986 2/20 0.35
CHUK O15111 2/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RPS6KA3 P51812 3/20 0.33
IKBKB O14920 1/20 0.33
IDO1 P14902 1/20 0.33
KMO O15229 1/20 0.33

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
SCHEMBL4950838 0.80 PIM1 (0.40) MKNK1MKNK2KDM4ELMNAHSD17B10
SCHEMBL3177261 0.77 MAP4K4 (0.47) MKNK1MKNK2IKBKBKMO
SCHEMBL18554602 0.76 CDC7 (0.40) MKNK1MKNK2HSD17B10IKBKB
SCHEMBL17054385 0.71 ERN1 (0.73) ERN1MKNK1MKNK2AKR1C2AKR1C1
SCHEMBL4945696 0.68 LIPG (0.42)
SCHEMBL11907002 0.68 MKNK1 (0.41) MKNK1MKNK2KDM4E
SCHEMBL11909659 0.65 MKNK1 (0.39) MKNK1MKNK2
SCHEMBL11907716 0.65 MKNK1 (0.39) MKNK1MKNK2KDM4EIKBKB
SCHEMBL1551487 0.64 MKNK1 (0.41) MKNK1MKNK2CHUKKDM4EIKBKB
SCHEMBL11906973 0.63 IKBKB (0.40) MKNK1MKNK2HSD17B10RPS6KA3IKBKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed
US-7393868-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2008-07-01 US disclosed
US-20070142441-A1 AMPA receptor potentiators ELI LILLY AND COMPANY 2007-06-21 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-20070142441-A1 AMPA receptor potentiators GABRE, GRIN1, GRIK2 ERN1 3645/4885MKNK1 3407/4885MKNK2 2778/4885

“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.