SCHEMBL3113463

SCHEMBL3113463

COc1ccc2c(N3CCN(C(C)=O)CC3)nc(C#N)c(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.48
KCNH2 Q12809 3/20 0.48
TSHR P16473 1/20 0.41
PGGT1B P53609 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMO Q99835 2/20 0.40
CFTR P13569 2/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CLK1 P49759 1/20 0.39
HPGD P15428 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CCKAR P32238 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
SCHEMBL3110766 0.90 KCNA5 (0.54) KCNA5KCNH2TSHRKDM4ESMO
SCHEMBL3125625 0.88 KCNA5 (0.51) KCNA5KCNH2TSHRKDM4EALDH1A1
SCHEMBL3117178 0.86 KCNA5 (0.49) KCNA5KCNH2TSHRKDM4EALDH1A1
SCHEMBL3117183 0.86 KCNA5 (0.49) KCNA5KCNH2TSHRKDM4EALDH1A1
SCHEMBL3119776 0.85 KMT2A (0.55) KCNA5KCNH2TSHRPGGT1BKDM4E
SCHEMBL3124654 0.85 KCNA5 (0.49) KCNA5KCNH2TSHRKDM4EALDH1A1
SCHEMBL3124668 0.84 KCNA5 (0.51) KCNA5KCNH2KDM4EALDH1A1MAPT
SCHEMBL3123324 0.81 KCNA5 (0.49) KCNA5KCNH2TSHRKDM4EALDH1A1
SCHEMBL3122216 0.79 KCNH2 (0.47) KCNA5KCNH2KDM4EKMT2A
SCHEMBL3110850 0.78 KCNA5 (0.60) KCNA5KCNH2KDM4EALDH1A1MAPT

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-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 5/4885TSHR 3655/4885

“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.