SCHEMBL885666

SCHEMBL885666

CS(=O)(=O)c1ccc(-c2nc3ccccc3n2-c2ncccc2CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.44
KCNA5 P22460 8/20 0.40
KCNH2 Q12809 3/20 0.40
PTGS2 P35354 5/20 0.38
MDM2 Q00987 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL885612 0.89 KCNA5 (0.51) KCNA5KCNH2MEN1KMT2A
SCHEMBL885958 0.88 KCNA5 (0.52) KCNA5KCNH2
SCHEMBL885038 0.87 KCNA5 (0.53) KCNA5KCNH2MDM2MEN1KMT2A
SCHEMBL886404 0.86 KCNA5 (0.44) KCNA5KCNH2ALDH1A1KMT2A
SCHEMBL885741 0.82 KCNA5 (0.46) KCNA5KCNH2
SCHEMBL886035 0.80 KCNA5 (0.55) KCNA5KCNH2SLC6A3
SCHEMBL885656 0.80 KCNA5 (0.45) KCNA5KCNH2
SCHEMBL885845 0.80 KCNA5 (0.44) KCNA5KCNH2ALDH1A1MEN1KMT2A
SCHEMBL886251 0.79 KCNA5 (0.48) KCNA5KCNH2CYP2C9CYP2C19
SCHEMBL886155 0.78 KCNA5 (0.44) KCNA5KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
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
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ATR 4168/4885KCNA5 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.