SCHEMBL3619772

SCHEMBL3619772

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.58
KCNH2 Q12809 8/20 0.58
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRD4 O60885 1/20 0.39
TP53 P04637 1/20 0.39
DPP4 P27487 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
MAOB P27338 1/20 0.39
PRKCA P17252 1/20 0.39
GSK3B P49841 1/20 0.39
MAPK8 P45983 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 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
SCHEMBL3622700 0.92 KCNA5 (0.61) KCNA5KCNH2ALDH1A1HPGDKDM4E
SCHEMBL3624281 0.89 KCNA5 (0.58) KCNA5KCNH2ALDH1A1HPGDKDM4E
SCHEMBL3616349 0.88 KCNA5 (0.64) KCNA5KCNH2ALDH1A1HPGDKDM4E
SCHEMBL3623049 0.88 KCNA5 (0.74) KCNA5KCNH2ALDH1A1HPGDKDM4E
SCHEMBL3619430 0.88 KCNA5 (0.57) KCNA5KCNH2ALDH1A1HPGDKDM4E
SCHEMBL3620202 0.88 KCNA5 (0.57) KCNA5KCNH2ALDH1A1HPGDKDM4E
SCHEMBL3623178 0.87 KCNA5 (0.52) KCNA5KCNH2ALDH1A1HPGDKDM4E
SCHEMBL3619470 0.86 KCNA5 (0.54) KCNA5KCNH2ALDH1A1KDM4ENPSR1
SCHEMBL1381734 0.85 KCNA5 (0.68) KCNA5KCNH2ALDH1A1KDM4ETP53
SCHEMBL3625281 0.84 KCNA5 (0.56) KCNA5KCNH2SMN1; SMN2TP53MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 US claimed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US claimed
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 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-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 KCNA5 14/4885KCNH2 5/4885ALDH1A1 1553/4885

“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.