SCHEMBL885774

SCHEMBL885774

CC(=O)Nc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.63
KCNH2 Q12809 5/20 0.57
ITGB3 P05106 2/20 0.52
ITGAV P06756 2/20 0.52
ITGA2B P08514 1/20 0.52
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
ATR Q13535 1/20 0.45
CYP17A1 P05093 1/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL884775 0.88 KCNA5 (0.55) KCNA5KCNH2ITGB3ITGAVITGA2B
SCHEMBL2063816 0.83 KCNA5 (0.68) KCNA5KCNH2TSHR
SCHEMBL884777 0.81 KCNA5 (0.73) KCNA5KCNH2ITGB3ITGAVITGA2B
SCHEMBL885216 0.80 KCNA5 (0.74) KCNA5KCNH2
SCHEMBL884504 0.79 KCNA5 (0.76) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL884624 0.79 KCNA5 (0.61) KCNA5KCNH2ITGB3ITGAVITGA2B
SCHEMBL884728 0.78 KCNA5 (0.74) KCNA5KCNH2TSHRSMN1; SMN2
SCHEMBL885826 0.78 KCNA5 (0.74) KCNA5KCNH2CYP11B1CYP11B2TSHR
SCHEMBL885138 0.78 KCNA5 (1.00) KCNA5KCNH2
SCHEMBL2063585 0.78 KCNA5 (0.62) KCNA5KCNH2TSHRLMNA

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 KCNA5 11/4885KCNH2 3/4885ITGB3 3710/4885

“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.