SCHEMBL4686238

SCHEMBL4686238

COc1ccc2c(=O)n3c(c(-c4ccccc4)c2c1)CN(C)CC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.53
KCNH2 Q12809 2/20 0.53
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
DPP4 P27487 1/20 0.47
HIF1A Q16665 1/20 0.47
MAPK8 P45983 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR6 P50406 2/20 0.42
HRH1 P35367 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX5 P09917 2/20 0.41
TNKS O95271 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL3118253 0.75 KCNA5 (0.69) KCNA5KCNH2KDM4EHPGDDPP4
SCHEMBL4690913 0.73 KCNA5 (0.66) KCNA5KCNH2KDM4EHPGDDPP4
SCHEMBL4685933 0.72 KCNA5 (0.67) KCNA5KCNH2KDM4EHPGDDPP4
SCHEMBL1377610 0.71 KCNA5 (0.51) KCNA5KCNH2KDM4EHPGDALDH1A1
SCHEMBL2903883 0.71 KCNA5 (0.66) KCNA5KCNH2KDM4EHPGDDPP4
SCHEMBL3094005 0.71 KCNA5 (0.63) KCNA5KCNH2KDM4EHPGDDPP4
SCHEMBL4592565 0.71 MTNR1A (0.43) KDM4EHPGDHIF1AMTNR1AMTNR1B
SCHEMBL3618717 0.70 KCNA5 (0.63) KCNA5KCNH2DPP4MAPK8ALDH1A1
Hydrochloric Acid SCHEMBL2898009 0.70 KCNA5 (0.65) KCNA5KCNH2KDM4EHPGDDPP4
SCHEMBL1382996 0.70 KCNA5 (0.76) KCNA5KCNH2KDM4EHPGDDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322619-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-01-23 EP claimed
US-6870055-B2 Isoquinolinone potassium channels inhibitors MERCK & CO., INC. (US) 2005-03-22 US claimed
US-20040044030-A1 Isoquinolinone potassium channels inhibitors MERCK SHARP & DOHME CORP. 2004-03-04 US claimed
EP-1322619-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-01-23 EP disclosed
US-6870055-B2 Isoquinolinone potassium channels inhibitors MERCK & CO., INC. (US) 2005-03-22 US disclosed
US-20040044030-A1 Isoquinolinone potassium channels inhibitors MERCK SHARP & DOHME CORP. 2004-03-04 US disclosed
EP-1322619-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2004-02-25 EP disclosed
EP-1322619-A1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2003-07-02 EP disclosed
WO-2002024655-A1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2002-03-28 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-20040044030-A1 Isoquinolinone potassium channels inhibitors KCNQ5, KCNQ1, KCNQ2 KCNA5 9/4885KCNH2 6/4885KDM4E 804/4885

“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.