SCHEMBL3110766

SCHEMBL3110766

COc1ccc2c(N3CCN(C(C)=O)CC3)nc(C#N)c(-c3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.54
KCNH2 Q12809 4/20 0.50
SMO Q99835 3/20 0.47
CNR2 P34972 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
CLK1 P49759 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CFTR P13569 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 1/20 0.41
KDR P35968 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
SCHEMBL3113463 0.90 KCNA5 (0.48) KCNA5KCNH2SMOCNR2HTT
SCHEMBL1385352 0.87 KCNA5 (0.53) KCNA5KCNH2SMN1; SMN2KDM4EALDH1A1
SCHEMBL1382239 0.87 KCNA5 (0.53) KCNA5KCNH2HTTSMN1; SMN2KDM4E
SCHEMBL1383656 0.84 KDM4E (0.53) KCNA5KCNH2HTTSMN1; SMN2KDM4E
SCHEMBL3124134 0.84 KCNA5 (0.54) KCNA5KCNH2SMN1; SMN2KDM4EALDH1A1
SCHEMBL3115867 0.83 KCNA5 (0.48) KCNA5KCNH2SMN1; SMN2KDM4EALDH1A1
SCHEMBL1385829 0.82 KCNA5 (0.53) KCNA5KCNH2SMN1; SMN2KDM4EALDH1A1
SCHEMBL1381875 0.82 KCNA5 (0.53) KCNA5KCNH2SMN1; SMN2KDM4EALDH1A1
SCHEMBL1384650 0.82 KCNA5 (0.53) KCNA5KCNH2SMN1; SMN2KDM4EALDH1A1
SCHEMBL1381879 0.82 KCNA5 (0.53) KCNA5KCNH2SMN1; SMN2KDM4EALDH1A1

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-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP disclosed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US disclosed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 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-20060276450-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNJ2 KCNA5 15/4885KCNH2 5/4885SMO 3283/4885

“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.