SCHEMBL884464

SCHEMBL884464

c1cncc(C(Cc2cccnc2Nc2ccncc2)c2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 15/20 0.56
KCNH2 Q12809 7/20 0.56
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CFTR P13569 2/20 0.38
GOPC Q9HD26 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALOX15 P16050 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL884875 0.93 KCNA5 (0.56) KCNA5KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL884975 0.90 KCNA5 (0.52) KCNA5KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL2062733 0.88 KCNA5 (0.54) KCNA5KCNH2
SCHEMBL885036 0.88 KCNA5 (0.48) KCNA5KCNH2CYP1A2CYP3A4CYP2C19
SCHEMBL884842 0.85 CYP19A1 (0.48) KCNA5KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL884584 0.83 KCNA5 (0.49) KCNA5KCNH2CFTRGOPCSLC6A2
SCHEMBL884797 0.83 KCNA5 (0.46) KCNA5KCNH2KDM4E
SCHEMBL884819 0.83 KCNA5 (0.53) KCNA5KCNH2CYP2D6KDM4ECFTR
SCHEMBL2063117 0.82 KCNA5 (0.59) KCNA5KCNH2
SCHEMBL884337 0.82 KCNA5 (0.60) KCNA5KCNH2CYP1A2CYP3A4CYP2D6

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 4 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-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.