SCHEMBL2062402

SCHEMBL2062402

c1cncc(C(Cc2ccccc2-c2ccc3c(c2)OCCO3)c2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.64
KCNH2 Q12809 5/20 0.64
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2063205 0.94 KCNA5 (0.66) KCNA5KCNH2CYP11B1CYP11B2NPC1
SCHEMBL2063823 0.87 KCNA5 (0.61) KCNA5KCNH2CYP11B1CYP11B2NPC1
SCHEMBL886205 0.85 KCNA5 (0.61) KCNA5KCNH2CYP11B1CYP11B2NPC1
SCHEMBL885547 0.81 KCNA5 (0.62) KCNA5KCNH2CYP11B1CYP11B2NPC1
SCHEMBL2062779 0.79 KCNA5 (1.00) KCNA5KCNH2TSHR
SCHEMBL886549 0.79 KCNA5 (0.63) KCNA5KCNH2CYP11B1CYP11B2NPC1
SCHEMBL2063707 0.78 KCNA5 (1.00) KCNA5KCNH2TSHR
SCHEMBL2063325 0.77 KCNA5 (1.00) KCNA5KCNH2TSHR
SCHEMBL885074 0.76 KCNA5 (0.81) KCNA5KCNH2
SCHEMBL886335 0.76 KCNA5 (0.67) KCNA5KCNH2NPC1RAB9AKDM4E

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 3/4885CYP11B1 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.