SCHEMBL1375952

SCHEMBL1375952

COc1ccc2c(=O)n(CCN)c(C)c(-c3ccccc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.62
KCNA5 P22460 4/20 0.58
KCNH2 Q12809 3/20 0.58
MAPK8 P45983 3/20 0.55
RXRA P19793 1/20 0.48
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EGFR P00533 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44

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
SCHEMBL1378040 0.93 DPP4 (0.60) DPP4KCNA5KCNH2MAPK8RXRA
Hydrochloric Acid SCHEMBL3100610 0.92 DPP4 (0.59) DPP4KCNA5KCNH2MAPK8RXRA
SCHEMBL1375812 0.88 KCNA5 (0.58) DPP4KCNA5KCNH2MAPK8ALDH1A1
SCHEMBL3097906 0.86 DPP4 (0.60) DPP4KCNA5KCNH2MAPK8ALDH1A1
SCHEMBL4686884 0.84 KCNA5 (0.76) DPP4KCNA5KCNH2MAPK8RXRA
SCHEMBL3096294 0.83 MEN1 (0.57) DPP4KCNA5KCNH2MAPK8RXRA
SCHEMBL3118253 0.82 KCNA5 (0.69) DPP4KCNA5KCNH2MAPK8ALDH1A1
SCHEMBL2900202 0.80 KCNA5 (0.73) DPP4KCNA5KCNH2MAPK8RXRA
SCHEMBL4685992 0.79 KCNA5 (0.76) DPP4KCNA5KCNH2MAPK8CA1
Hydrochloric Acid SCHEMBL2901589 0.79 DPP4 (0.71) DPP4KCNA5KCNH2MAPK8RXRA

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 24 patents — showing the first 20. 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 claimed
US-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US claimed
JP-4718467-B2 2011-07-06 JP claimed
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors MERCK & CO., INC. (US) 2010-10-07 US claimed
EP-1667982-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP claimed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US claimed
EP-1667982-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030791-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
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-8338449-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-25 US 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-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors MERCK & CO., INC. (US) 2010-10-07 US disclosed
EP-1667982-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-08-13 EP disclosed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20070027177-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
EP-1667982-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030791-A2 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 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 (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 DPP4 1155/4885KCNA5 23/4885KCNH2 4/4885
US-20100256698-A1 Isoquinolinone Potassium Channel Inhibitors KCNJ2, KCNQ1, KCNQ2 DPP4 1009/4885KCNA5 26/4885KCNH2 5/4885

“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.