SCHEMBL884568

SCHEMBL884568

c1cncc(C(Cc2cccnc2N2CCCc3ccccc32)c2cccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.45
KCNH2 Q12809 4/20 0.45
ALDH1A1 P00352 2/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ROCK1 Q13464 1/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL884227 0.93 KCNA5 (0.47) KCNA5KCNH2ALDH1A1KMT2ATP53
SCHEMBL2063582 0.90 KCNA5 (0.45) KCNA5KCNH2ALDH1A1ABL1RIN1
SCHEMBL885762 0.88 KCNA5 (0.43) KCNA5KCNH2
SCHEMBL2063804 0.83 KCNA5 (0.47) KCNA5KCNH2
SCHEMBL885030 0.80 KCNA5 (0.45) KCNA5KCNH2
SCHEMBL884597 0.80 KCNA5 (0.44) KCNA5KCNH2ALDH1A1KDM4EMAPT
SCHEMBL2063380 0.80 KCNA5 (0.44) KCNA5KCNH2
SCHEMBL2062758 0.78 KCNA5 (0.45) KCNA5KCNH2
SCHEMBL2063140 0.78 GRIN2D (0.52) KCNA5KCNH2MAPT
SCHEMBL884635 0.78 KCNA5 (0.51) KCNA5KCNH2ALDH1A1HSD17B10USP2

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 3/4885ALDH1A1 2989/4885

“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.