SCHEMBL3116897

SCHEMBL3116897

COc1ccc2c(-n3cnc(C)c3)nc(C#N)c(-c3ccncc3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.73
KCNH2 Q12809 3/20 0.73
ADORA2A P29274 1/20 0.39
MAPK13 O15264 5/20 0.37
MAPK12 P53778 5/20 0.37
MAPK11 Q15759 5/20 0.37
MAPK14 Q16539 5/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
CLK1 P49759 2/20 0.34
CLK2 P49760 2/20 0.34
CLK3 P49761 2/20 0.34
CDK5 Q00535 2/20 0.34
DYRK1A Q13627 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
LRRK2 Q5S007 2/20 0.34

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
SCHEMBL3117174 0.91 KCNA5 (0.81) KCNA5KCNH2MAOAMAOBKDM4E
SCHEMBL3122134 0.89 KCNA5 (0.74) KCNA5KCNH2CLK1CLK2DYRK1A
SCHEMBL3125381 0.87 KCNA5 (0.72) KCNA5KCNH2MAOAMAOBDYRK1A
SCHEMBL3124648 0.85 KCNA5 (0.69) KCNA5KCNH2MAOAMAOB
SCHEMBL3263608 0.85 KCNH2 (1.00) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL3125976 0.85 KCNA5 (0.80) KCNA5KCNH2MAPK13MAPK12MAPK11
SCHEMBL13380127 0.84 KCNA5 (0.67) KCNA5KCNH2MAOAMAOBDYRK1A
SCHEMBL3121615 0.83 KCNA5 (0.66) KCNA5KCNH2MAOAMAOBCLK1
SCHEMBL3118088 0.82 KCNA5 (0.65) KCNA5KCNH2MAOAMAOBCLK1
SCHEMBL3116073 0.82 KCNA5 (0.67) KCNA5KCNH2ADORA2AMAOAMAOB

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 2 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-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US 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 5/4885ADORA2A 3355/4885

“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.