SCHEMBL1385352

SCHEMBL1385352

COc1ccc2c(N3CCC3)nc(C#N)c(-c3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.53
KCNH2 Q12809 4/20 0.53
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 3/20 0.46
ALOX15 P16050 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.46
RUNX1 Q01196 1/20 0.46
CBFB Q13951 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
PABPC1 P11940 1/20 0.45
APEX1 P27695 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1382239 0.98 KCNA5 (0.53) KCNA5KCNH2MEN1KMT2AMAPK1
SCHEMBL3124134 0.90 KCNA5 (0.54) KCNA5KCNH2MEN1KMT2AMAPK1
SCHEMBL1383656 0.89 KDM4E (0.53) KCNA5KCNH2MEN1KMT2AMAPK1
SCHEMBL5525346 0.88 KCNA5 (0.46) KCNA5KCNH2MEN1KMT2AMAPK1
SCHEMBL3115867 0.88 KCNA5 (0.48) KCNA5KCNH2MEN1KMT2AMAPK1
SCHEMBL3110766 0.87 KCNA5 (0.54) KCNA5KCNH2MEN1KMT2AMAPK1
SCHEMBL1381875 0.86 KCNA5 (0.53) KCNA5KCNH2MEN1KMT2AMAPK1
SCHEMBL1385829 0.86 KCNA5 (0.53) KCNA5KCNH2MEN1KMT2AMAPK1
SCHEMBL1384650 0.86 KCNA5 (0.53) KCNA5KCNH2MEN1KMT2AMAPK1
SCHEMBL1381879 0.86 KCNA5 (0.53) KCNA5KCNH2MEN1KMT2AMAPK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4794446-B2 2011-10-19 JP claimed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US claimed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP claimed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US claimed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
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 5/4885MEN1 2371/4885

“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.