SCHEMBL3125381

SCHEMBL3125381

COc1ccc2c(-n3cnc(C)c3)nc(C#N)c(-c3ncccn3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.72
KCNH2 Q12809 3/20 0.72
MAOA P21397 3/20 0.37
MAOB P27338 2/20 0.37
PDE4B Q07343 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM4E B2RXH2 2/20 0.34
DYRK1A Q13627 2/20 0.32
CLK4 Q9HAZ1 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MAT2A P31153 1/20 0.32
IDH1 O75874 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
USP8 P40818 1/20 0.32

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
SCHEMBL3124648 0.90 KCNA5 (0.69) KCNA5KCNH2MAOAMAOBPDE4B
SCHEMBL3117174 0.88 KCNA5 (0.81) KCNA5KCNH2MAOAMAOBKDM4E
SCHEMBL3116897 0.87 KCNA5 (0.73) KCNA5KCNH2MAOAMAOBKDM4E
SCHEMBL3122134 0.85 KCNA5 (0.74) KCNA5KCNH2KDM4EDYRK1ACLK4
SCHEMBL13380127 0.85 KCNA5 (0.67) KCNA5KCNH2MAOAMAOBPDE4B
SCHEMBL3116073 0.84 KCNA5 (0.67) KCNA5KCNH2MAOAMAOBPDE4B
SCHEMBL3121615 0.84 KCNA5 (0.66) KCNA5KCNH2MAOAMAOBPDE4B
SCHEMBL3125976 0.84 KCNA5 (0.80) KCNA5KCNH2MAOAMAOBKDM4E
SCHEMBL3263608 0.84 KCNH2 (1.00) KCNA5KCNH2MAOAMAOBKDM4E
SCHEMBL3118088 0.83 KCNA5 (0.65) KCNA5KCNH2MAOAMAOBPDE4B

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 5/4885MAOA 3060/4885

“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.