SCHEMBL3097462

SCHEMBL3097462

Cn1c(C(C)(C)C)c(-c2ccccc2)c2cc(OS(=O)(=O)C(F)(F)F)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.47
KCNH2 Q12809 1/20 0.47
TACR1 P25103 7/20 0.40
DPP4 P27487 4/20 0.39
MAPK8 P45983 1/20 0.36
PKM P14618 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 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
SCHEMBL3094005 0.84 KCNA5 (0.63) KCNA5KCNH2TACR1DPP4MAPK8
SCHEMBL1376838 0.77 DPP4 (0.48) KCNA5KCNH2TACR1DPP4PKM
SCHEMBL1377892 0.76 KCNA5 (0.50) KCNA5KCNH2DPP4MAPK8KMT2A
SCHEMBL1376932 0.76 KCNA5 (0.46) KCNA5KCNH2DPP4MAPK8KMT2A
SCHEMBL1377878 0.75 KCNA5 (0.45) KCNA5KCNH2DPP4MAPK8
SCHEMBL1375623 0.75 KCNA5 (0.56) KCNA5KCNH2DPP4MAPK8LMNA
SCHEMBL3103287 0.74 DPP4 (0.51) KCNA5KCNH2DPP4PKMHKDC1
SCHEMBL3092040 0.73 DPP4 (0.53) TACR1DPP4MAPK8PKMHKDC1
SCHEMBL1376296 0.70 DPP4 (0.55) KCNA5KCNH2DPP4MAPK8
SCHEMBL2810467 0.70 HTR1D (0.47) CHRM1DRD2DRD4DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667982-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
US-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US disclosed
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors MERCK & CO., INC. (US) 2010-10-07 US disclosed
US-7723352-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2010-05-25 US disclosed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 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 (2 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-20070027177-A1 Isoquinolinone potassium channel inhibitors KCNJ2, KCNQ1, KCNQ2 KCNA5 23/4885KCNH2 4/4885TACR1 1839/4885
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors KCNJ2, KCNQ1, KCNQ2 KCNA5 26/4885KCNH2 5/4885TACR1 2191/4885

“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.