SCHEMBL1645063

SCHEMBL1645063

CC(=O)c1cnc2cc(C(F)(F)F)c(F)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
GRIN2B Q13224 2/20 0.39
RXRA P19793 1/20 0.39
GRIN1 Q05586 1/20 0.39
EGLN1 Q9GZT9 1/20 0.37
VNN1 O95497 5/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
KCNQ3 O43525 2/20 0.34
KCNQ2 O43526 2/20 0.34
KCNE1 P15382 2/20 0.34
KCNQ1 P51787 2/20 0.34
CHEK1 O14757 1/20 0.34
FLT3 P36888 1/20 0.34
MAOB P27338 1/20 0.34
HPGDS O60760 2/20 0.34
KMO O15229 1/20 0.34
MAP4K4 O95819 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
SCHEMBL1645675 0.87 MGAM (0.47) EGLN1VNN1KMO
SCHEMBL20023727 0.84 PDGFRB (0.41) MAOBHPGDSMAP4K4CSNK1G2CLK4
SCHEMBL30447236 0.84 PDGFRB (0.41) MAOBHPGDSMAP4K4CSNK1G2CLK4
SCHEMBL1645072 0.84 EGLN1 (0.38) KIF11GRIN2BRXRAGRIN1EGLN1
SCHEMBL1285368 0.81 MAOB (0.54) MAOB
SCHEMBL19021348 0.77 HPGDS (0.34) GRIN2BHDAC2HPGDSMAP4K4CSNK1G2
SCHEMBL1645669 0.71 KIF11 (0.38) KIF11GRIN2BKCNQ3KCNQ2KCNE1
SCHEMBL20486450 0.71 KIF11 (0.41) KIF11GRIN2BRXRAGRIN1HDAC3
SCHEMBL19107779 0.71 KIF11 (0.41) KIF11GRIN2BRXRAGRIN1VNN1
SCHEMBL1644237 0.71 EGLN1 (0.46) EGLN1KMO

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 KIF11 4292/4885GRIN2B 150/4885RXRA 1295/4885

“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.