SCHEMBL3624698

SCHEMBL3624698

C=CCn1c(C#N)c(-c2ccccc2)c2cc(OC)ccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.67
KCNH2 Q12809 8/20 0.67
DPP4 P27487 3/20 0.51
MAPK8 P45983 3/20 0.50
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RCE1 Q9Y256 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
SCHEMBL4639832 0.90 KCNA5 (0.68) KCNA5KCNH2DPP4MAPK8ALDH1A1
SCHEMBL13283560 0.90 KCNA5 (0.59) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL3122092 0.89 KCNA5 (0.75) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL3627103 0.89 KCNA5 (0.58) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL3625509 0.88 KCNA5 (0.57) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL3625029 0.86 KCNA5 (0.51) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL3620771 0.86 KCNA5 (0.52) KCNA5KCNH2DPP4MAPK8KDM4E
SCHEMBL13256468 0.85 KCNA5 (0.70) KCNA5KCNH2DPP4MAPK8
SCHEMBL13379985 0.84 KDM4E (0.53) KCNA5KCNH2DPP4KDM4EALDH1A1
SCHEMBL3618662 0.84 KCNA5 (0.68) KCNA5KCNH2DPP4MAPK8L3MBTL1

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-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 US claimed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US claimed
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 US disclosed
EP-1667981-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US disclosed
EP-1667981-A1 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030729-A1 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-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 KCNA5 14/4885KCNH2 5/4885DPP4 2227/4885

“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.