SCHEMBL10094705

SCHEMBL10094705

Cc1c(Cl)cccc1-c1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.48
KCNA5 P22460 1/20 0.47
KCNH2 Q12809 1/20 0.47
CLK4 Q9HAZ1 1/20 0.45
ENPP1 P22413 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
PGR P06401 2/20 0.42
AR P10275 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MAOB P27338 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CREBBP Q92793 1/20 0.40
BRD4 O60885 1/20 0.40
GRM5 P41594 1/20 0.40
NOTUM Q6P988 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL28022368 0.84 ADRA2C (0.59) ADRA2CKCNA5KCNH2CLK4ENPP1
SCHEMBL31462934 0.80 ENPP1 (0.51) ADRA2CKCNA5KCNH2CLK4ENPP1
SCHEMBL10094533 0.80 KCNA5 (0.47) ADRA2CKCNA5KCNH2CLK4ENPP1
SCHEMBL4006127 0.79 ADRA2C (0.47) ADRA2CCLK4PGRAR
SCHEMBL996127 0.78 ADRA2C (0.64) ADRA2CCLK4MAOBNOTUMIDO1
SCHEMBL4506629 0.77 ADRA2C (0.55) ADRA2CCLK4PGRARMAOB
SCHEMBL18618148 0.76 XDH (0.44) ADRA2CKCNA5KCNH2CLK4PTGDR2
SCHEMBL29588586 0.76 XDH (0.44) ADRA2CKCNA5KCNH2CLK4PTGDR2
SCHEMBL27807207 0.76 EGLN2 (0.42) ARIDO1
SCHEMBL16574038 0.75 PTGDR2 (0.53) ADRA2CCLK4ENPP1PTGDR2PGR

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 ADRA2C 717/4885KCNA5 11/4885KCNH2 3/4885

“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.