SCHEMBL2063582

SCHEMBL2063582

c1cncc(C(Cc2cccnc2N2CCCc3cccnc32)c2cccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.45
KCNH2 Q12809 5/20 0.45
PTPN11 Q06124 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL2063804 0.93 KCNA5 (0.47) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884568 0.90 KCNA5 (0.45) KCNA5KCNH2ALDH1A1ABL1RIN1
SCHEMBL885762 0.84 KCNA5 (0.43) KCNA5KCNH2PTPN11
SCHEMBL884227 0.83 KCNA5 (0.47) KCNA5KCNH2ALDH1A1CYP11B1CYP11B2
SCHEMBL884635 0.80 KCNA5 (0.51) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884666 0.79 KCNA5 (0.50) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL2063140 0.78 GRIN2D (0.52) KCNA5KCNH2
SCHEMBL884252 0.77 KCNA5 (0.48) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884597 0.76 KCNA5 (0.44) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884734 0.75 KCNA5 (0.48) KCNA5KCNH2ALDH1A1

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 3 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
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 3/4885PTPN11 3507/4885

“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.