SCHEMBL10094653

SCHEMBL10094653

Cc1ccc(F)cc1-c1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.48
KCNH2 Q12809 1/20 0.48
GABRG2 P18507 4/20 0.48
GABRB3 P28472 4/20 0.48
GABRA5 P31644 4/20 0.48
GABRA3 P34903 4/20 0.48
CLK4 Q9HAZ1 1/20 0.44
ADRA2C P18825 1/20 0.43
NPY5R Q15761 1/20 0.42
BRD4 O60885 1/20 0.42
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
ABL1 P00519 1/20 0.40
MAPK14 Q16539 1/20 0.40
TRPA1 O75762 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL10094654 0.81 PTGS1 (0.49) ARABL1MAPK14
SCHEMBL10304978 0.81 ABL1 (0.47) PGRABL1BACE1
SCHEMBL16574038 0.81 PTGDR2 (0.53) CLK4ADRA2CBRD4PGRAR
SCHEMBL10094410 0.80 KCNA5 (0.48) KCNA5KCNH2GABRG2GABRB3GABRA5
SCHEMBL24017180 0.80 GABRG2 (0.64) KCNA5KCNH2GABRG2GABRB3GABRA5
SCHEMBL19579049 0.80 CLK4 (0.53) KCNA5KCNH2GABRG2GABRB3GABRA5
SCHEMBL4506629 0.80 ADRA2C (0.55) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL10094674 0.78 ACHE (0.54) NPY5RABL1BACE1
SCHEMBL10074338 0.77 ADORA2A (0.44) CLK4ADRA2CARABL1MAPK14
SCHEMBL1899148 0.76 MAPK14 (0.53) CLK4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNH2 3/4885GABRG2 692/4885

“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.