SCHEMBL886205

SCHEMBL886205

c1cncc(C(Cc2cccnc2-c2ccc3c(c2)OCCO3)c2cccnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.61
KCNH2 Q12809 4/20 0.55
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CLK4 Q9HAZ1 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
CTSA P10619 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
SCHEMBL886549 0.94 KCNA5 (0.63) KCNA5KCNH2CYP11B1CYP11B2POLB
SCHEMBL2062402 0.85 KCNA5 (0.64) KCNA5KCNH2CYP11B1CYP11B2NPC1
SCHEMBL2063823 0.79 KCNA5 (0.61) KCNA5KCNH2CYP11B1CYP11B2NPC1
SCHEMBL884707 0.79 TUBB4A (0.50) KCNA5KCNH2NPC1RAB9A
SCHEMBL2063205 0.79 KCNA5 (0.66) KCNA5KCNH2CYP11B1CYP11B2POLB
SCHEMBL884728 0.79 KCNA5 (0.74) KCNA5KCNH2
SCHEMBL885826 0.79 KCNA5 (0.74) KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL885170 0.78 KCNA5 (0.68) KCNA5KCNH2
SCHEMBL884536 0.77 KCNA5 (0.75) KCNA5KCNH2NPC1RAB9A
SCHEMBL884939 0.77 KCNA5 (0.64) KCNA5KCNH2

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 3/4885CYP11B1 3290/4885

“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.