SCHEMBL1377934

SCHEMBL1377934

COc1ccc2c(=O)n(C)c(COCC(F)(F)F)c(-c3ccccc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.66
KCNH2 Q12809 3/20 0.66
TACR1 P25103 9/20 0.60
DPP4 P27487 4/20 0.53
MAPK8 P45983 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL3115349 0.90 KCNA5 (0.76) KCNA5KCNH2TACR1DPP4MAPK8
SCHEMBL1382996 0.85 KCNA5 (0.76) KCNA5KCNH2TACR1DPP4MAPK8
SCHEMBL3122893 0.85 KCNA5 (0.69) KCNA5KCNH2TACR1DPP4MAPK8
SCHEMBL1379447 0.84 KCNA5 (0.67) KCNA5KCNH2TACR1DPP4MAPK8
SCHEMBL1378536 0.84 KCNA5 (0.67) KCNA5KCNH2TACR1DPP4MAPK8
SCHEMBL1381745 0.84 KCNA5 (0.70) KCNA5KCNH2TACR1DPP4MAPK8
Hydrochloric Acid SCHEMBL15225930 0.83 KCNA5 (0.66) KCNA5KCNH2TACR1DPP4MAPK8
SCHEMBL4685936 0.82 KCNA5 (0.65) KCNA5KCNH2TACR1DPP4MAPK8
SCHEMBL1382177 0.81 KCNA5 (0.64) KCNA5KCNH2TACR1DPP4MAPK8
SCHEMBL1379988 0.81 KCNA5 (0.64) KCNA5KCNH2TACR1DPP4MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667978-B1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2013-09-04 EP claimed
JP-4719151-B2 2011-07-06 JP claimed
US-7709476-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-05-04 US claimed
US-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2008-09-18 US claimed
EP-1667978-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-08-29 EP claimed
EP-1667978-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2006-06-14 EP claimed
WO-2005046578-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-05-26 WO claimed
EP-1667978-B1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
EP-1667978-B1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
US-7709476-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-05-04 US disclosed
US-7709476-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-05-04 US disclosed
US-7709476-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-05-04 US disclosed
US-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2008-09-18 US disclosed
US-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2008-09-18 US disclosed
US-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2008-09-18 US disclosed
EP-1667978-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-08-29 EP disclosed
EP-1667978-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2006-06-14 EP disclosed
WO-2005046578-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-05-26 WO disclosed
WO-2005046578-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-05-26 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-20080227778-A1 Isoquinolinone Potassium Channel Inhibitors KCNJ2, KCNQ1, KCNQ2 KCNA5 23/4885KCNH2 4/4885TACR1 1839/4885

“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.