SCHEMBL2902940

SCHEMBL2902940

COc1ccc2c(=O)n(C)c(CC#N)c(-c3ccccc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.71
KCNH2 Q12809 5/20 0.71
DPP4 P27487 4/20 0.54
MAPK8 P45983 1/20 0.48
TACR1 P25103 4/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAT2A P31153 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA4 P48058 1/20 0.43

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
SCHEMBL4685943 0.85 KCNA5 (0.73) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL2904903 0.84 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL14303480 0.84 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL4685992 0.84 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL1382996 0.84 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL1381998 0.84 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL3115349 0.84 KCNA5 (0.76) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL8948070 0.84 TACR1 (0.51) KCNA5KCNH2DPP4TACR1SMN1; SMN2
SCHEMBL8785047 0.83 DPP4 (0.72) KCNA5KCNH2DPP4MAPK8TACR1
SCHEMBL4686913 0.83 KCNA5 (1.00) KCNA5KCNH2DPP4MAPK8TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667976-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2010-08-04 EP disclosed
US-7741322-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 US disclosed
EP-1667976-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-02-13 EP disclosed
US-20060281743-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-14 US disclosed
EP-1667976-A1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030726-A1 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 (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-20060281743-A1 Isoquinolinone potassium channel inhibitors KCNJ2, KCNQ1, KCNQ2 KCNA5 23/4885KCNH2 4/4885DPP4 1155/4885

“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.