SCHEMBL4464257

SCHEMBL4464257

CS(=O)(=O)c1cccc(C(c2cccnc2)N(c2cccnc2)c2cccc(N)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
HRH4 Q9H3N8 2/20 0.34
GRM2 Q14416 3/20 0.33
KCNA5 P22460 3/20 0.33
KCNH2 Q12809 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ROCK1 Q13464 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
VNN1 O95497 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
NAMPT P43490 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4472831 0.94 TAAR1 (0.38) TAAR1HRH4GRM2KCNA5KCNH2
SCHEMBL4463302 0.88 TAAR1 (0.35) TAAR1GRM2KCNA5KDM4CVNN1
SCHEMBL4459076 0.85 KCNA5 (0.38) KCNA5KCNH2LMNA
SCHEMBL4460584 0.82 TAAR1 (0.44) TAAR1GRM2KCNA5KDM4CVNN1
SCHEMBL4453054 0.81 TAAR1 (0.38) TAAR1GRM2KCNA5KDM4CVNN1
SCHEMBL14435433 0.79 CFTR (0.42) GRM2KCNA5KCNH2
SCHEMBL4472149 0.79 TAAR1 (0.41) TAAR1GRM2KCNA5NAMPT
SCHEMBL4461814 0.78 NAMPT (0.36) VNN1PDE4APDE4BPDE4CPDE4D
SCHEMBL4462110 0.77 CYP2C19 (0.37) TAAR1GRM2KCNA5VNN1
SCHEMBL4457222 0.76 TAAR1 (0.43) TAAR1GRM2KCNA5NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 TAAR1 560/4885HRH4 2171/4885GRM2 1678/4885

“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.