SCHEMBL3480920

SCHEMBL3480920

COc1ccc2c(=O)n(C)c(C(=O)N(C)C)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.55
KCNH2 Q12809 5/20 0.55
MAPK8 P45983 2/20 0.45
TACR1 P25103 6/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.40
CFTR P13569 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL3480824 0.88 KCNA5 (0.57) KCNA5KCNH2MAPK8KDM4EALDH1A1
SCHEMBL3480571 0.87 KCNA5 (0.56) KCNA5KCNH2MAPK8KDM4EALDH1A1
SCHEMBL1380146 0.83 KCNA5 (0.52) KCNA5KCNH2MAPK8KDM4EALDH1A1
SCHEMBL1376904 0.81 KCNA5 (0.59) KCNA5KCNH2MAPK8KDM4EALDH1A1
SCHEMBL1375623 0.78 KCNA5 (0.56) KCNA5KCNH2MAPK8KDM4EALDH1A1
SCHEMBL3623049 0.78 KCNA5 (0.74) KCNA5KCNH2MAPK8KDM4EALDH1A1
SCHEMBL3480659 0.74 MAPK8 (0.71) KCNA5KCNH2MAPK8TACR1
SCHEMBL4685991 0.74 KCNA5 (0.61) KCNA5KCNH2MAPK8TACR1KDM4E
SCHEMBL5239049 0.73 GRIA2 (0.48) KCNA5KCNH2MAPK8TACR1KDM4E
SCHEMBL5583193 0.72 KCNA5 (0.67) KCNA5KCNH2MAPK8KDM4EALDH1A1

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
US-7781457-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US claimed
US-20060270704-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-11-30 US claimed
US-7781457-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-7781457-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-7781457-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-20060270704-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-11-30 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 (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-20060270704-A1 Isoquinolinone potassium channel inhibitors KCNJ2, KCNQ1, KCNQ2 KCNA5 21/4885KCNH2 5/4885MAPK8 1534/4885

“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.