SCHEMBL884227

SCHEMBL884227

c1cncc(C(Cc2cccnc2N2CCc3ccccc32)c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.47
KCNH2 Q12809 4/20 0.47
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.39
NUDT1 P36639 1/20 0.39
STAT3 P40763 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
SCHEMBL884568 0.93 KCNA5 (0.45) KCNA5KCNH2ALDH1A1TP53GAA
SCHEMBL2063804 0.90 KCNA5 (0.47) KCNA5KCNH2CYP19A1CYP11B1CYP11B2
SCHEMBL885762 0.83 KCNA5 (0.43) KCNA5KCNH2
SCHEMBL2063582 0.83 KCNA5 (0.45) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL885030 0.82 KCNA5 (0.45) KCNA5KCNH2
SCHEMBL2063140 0.82 GRIN2D (0.52) KCNA5KCNH2HPGD
SCHEMBL2063380 0.81 KCNA5 (0.44) KCNA5KCNH2NUDT1
SCHEMBL884597 0.81 KCNA5 (0.44) KCNA5KCNH2ALDH1A1
SCHEMBL2062758 0.80 KCNA5 (0.45) KCNA5KCNH2CYP19A1CYP11B1CYP11B2
SCHEMBL884635 0.77 KCNA5 (0.51) KCNA5KCNH2ALDH1A1LMNA

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 3/4885NPC1 660/4885

“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.