SCHEMBL3621163

SCHEMBL3621163

COc1ccc2c(=O)n(C)c(C#N)c(-c3ccc(F)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.58
KCNH2 Q12809 7/20 0.58
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
MAOB P27338 1/20 0.43
KDM4E B2RXH2 2/20 0.41
KDM1A O60341 2/20 0.41
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
MT-CO2 P00403 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
SQOR Q9Y6N5 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
SCHEMBL3619470 0.93 KCNA5 (0.54) KCNA5KCNH2ALDH1A1KDM4EKDM1A
SCHEMBL3623178 0.89 KCNA5 (0.52) KCNA5KCNH2ALDH1A1MAOBKDM4E
SCHEMBL3625094 0.89 KCNA5 (0.52) KCNA5KCNH2ALDH1A1MAPTKDM4E
SCHEMBL3627786 0.88 KCNA5 (0.51) KCNA5KCNH2ALDH1A1KDM4E
SCHEMBL3616349 0.88 KCNA5 (0.64) KCNA5KCNH2ALDH1A1KDM4EGRIA2
SCHEMBL3627068 0.87 KCNA5 (0.54) KCNA5KCNH2MAPTMAOBKDM4E
SCHEMBL3623049 0.87 KCNA5 (0.74) KCNA5KCNH2ALDH1A1KDM4EMAPK13
SCHEMBL3622580 0.86 KCNA5 (0.51) KCNA5KCNH2GABRA1GABRG2GABRB3
SCHEMBL3624730 0.85 KCNA5 (0.56) KCNA5KCNH2GABRA1GABRG2GABRB3
SCHEMBL1381724 0.84 KCNA5 (0.51) KCNA5KCNH2ALDH1A1MAPTKDM4E

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 5/4885ALDH1A1 1553/4885

“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.