SCHEMBL884688

SCHEMBL884688

CN(C)C(=O)c1ccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.69
KCNH2 Q12809 6/20 0.69
CYP1A2 P05177 5/20 0.43
CYP3A4 P08684 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
CYP2C19 P33261 1/20 0.43
CLK4 Q9HAZ1 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALOX15 P16050 1/20 0.41
FYN P06241 1/20 0.40
HPGD P15428 2/20 0.40
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
MEN1 O00255 1/20 0.39
CYP2D6 P10635 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
SCHEMBL885066 0.90 KCNA5 (0.85) KCNA5KCNH2CYP3A4CYP11B1CYP11B2
SCHEMBL884640 0.86 KCNA5 (0.60) KCNA5KCNH2
SCHEMBL884898 0.86 KCNA5 (0.59) KCNA5KCNH2CYP3A4ALDH1A1CLK4
SCHEMBL2063360 0.84 KCNA5 (0.71) KCNA5KCNH2CYP11B1CYP11B2DPP4
SCHEMBL2063320 0.82 KCNA5 (0.65) KCNA5KCNH2DPP4
SCHEMBL2062791 0.82 KCNA5 (0.74) KCNA5KCNH2TSHRCYP11B1CYP11B2
SCHEMBL884628 0.82 KCNA5 (0.61) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL2062737 0.81 KCNA5 (0.69) KCNA5KCNH2CYP11B1CYP11B2DPP4
SCHEMBL884683 0.81 KCNA5 (0.70) KCNA5KCNH2TSHRHPGDDPP4
SCHEMBL885043 0.81 KCNA5 (0.53) KCNA5KCNH2ALDH1A1MEN1KMT2A

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-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

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 3/4885CYP1A2 2371/4885

“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.