SCHEMBL884680

SCHEMBL884680

O=C(NCCc1ccccn1)c1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.61
KCNH2 Q12809 4/20 0.53
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
KCNA3 P22001 1/20 0.45
EPHX2 P34913 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 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
SCHEMBL2063939 0.91 KCNA5 (0.63) KCNA5KCNH2KMT2ARAB9ANPC1
SCHEMBL884297 0.87 KCNA5 (0.67) KCNA5KCNH2CDK4CCND1KMT2A
SCHEMBL884480 0.84 KCNA5 (0.71) KCNA5KCNH2CDK4CCND1EPHX2
SCHEMBL2063011 0.83 KCNA5 (0.65) KCNA5KCNH2KMT2ARAB9AMEN1
SCHEMBL885046 0.83 KCNA5 (0.67) KCNA5KCNH2KMT2AEPHX2CYP2C9
SCHEMBL884585 0.82 KCNA5 (0.66) KCNA5KCNH2KMT2ACYP2C9CYP2C19
SCHEMBL884694 0.81 KCNA5 (0.65) KCNA5KCNH2KMT2AEPHX2SMN1; SMN2
SCHEMBL884527 0.81 KCNA5 (0.66) KCNA5KCNH2ADRB2ADRB1ADRB3
SCHEMBL884739 0.80 KCNA5 (0.78) KCNA5KCNH2
SCHEMBL884689 0.80 KCNA5 (0.68) KCNA5KCNH2MAPTRAB9ANPC1

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 3/4885CDK4 4212/4885

“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.