SCHEMBL884666

SCHEMBL884666

c1cncc(C(Cc2cccnc2N2CCCCC2)c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.50
KCNH2 Q12809 6/20 0.50
KCNN4 O15554 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
SRC P12931 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL884635 0.99 KCNA5 (0.51) KCNA5KCNH2KCNN4CYP1A2CYP2C19
SCHEMBL884734 0.87 KCNA5 (0.48) KCNA5KCNH2CYP1A2CYP2C9ALDH1A1
SCHEMBL884252 0.87 KCNA5 (0.48) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884433 0.85 KCNA5 (0.46) KCNA5KCNH2CYP1A2CYP2C19CYP2C9
SCHEMBL884952 0.85 KCNA5 (0.40) KCNA5KCNH2KCNN4USP2ALDH1A1
SCHEMBL884679 0.84 KCNA5 (0.43) KCNA5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL884741 0.84 KCNA5 (0.43) KCNA5KCNH2
SCHEMBL885978 0.82 KCNA5 (0.42) KCNA5KCNH2USP2ALDH1A1LMNA
SCHEMBL885665 0.82 KCNA5 (0.42) KCNA5KCNH2USP2ALDH1A1LMNA
SCHEMBL886286 0.82 KCNA5 (0.38) KCNA5KCNH2USP2ALDH1A1LMNA

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 5 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

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 3/4885KCNN4 48/4885

“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.