SCHEMBL3263608

SCHEMBL3263608

COc1ccc2c(-n3cnc(C)c3)nc(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 1.00
KCNA5 P22460 8/20 1.00
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
HTR6 P50406 2/20 0.36
HTR2A P28223 1/20 0.36

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 0.89 KCNA5 (0.81) KCNH2KCNA5KDM4EALDH1A1LMNA
SCHEMBL3125976 0.89 KCNA5 (0.80) KCNH2KCNA5MAPK13MAPK12MAPK11
SCHEMBL3122134 0.85 KCNA5 (0.74) KCNH2KCNA5KDM4EALDH1A1HPGD
SCHEMBL3116897 0.85 KCNA5 (0.73) KCNH2KCNA5MAPK13MAPK12MAPK11
SCHEMBL3125381 0.84 KCNA5 (0.72) KCNH2KCNA5KDM4EALDH1A1MAOA
SCHEMBL3121637 0.83 KCNH2 (0.71) KCNH2KCNA5PSEN1PSEN2APH1B
SCHEMBL2183727 0.83 KCNH2 (0.70) KCNH2KCNA5MAPK13MAPK12MAPK11
SCHEMBL3124648 0.82 KCNA5 (0.69) KCNH2KCNA5ALDH1A1SMN1; SMN2MAOA
SCHEMBL3115495 0.82 KCNA5 (0.69) KCNH2KCNA5MAPK13MAPK12MAPK11
SCHEMBL1383440 0.81 KCNA5 (0.67) KCNH2KCNA5MAPK13MAPK12MAPK11

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 4 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-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-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 KCNH2 5/4885KCNA5 15/4885MAPK13 3770/4885

“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.