SCHEMBL3623178

SCHEMBL3623178

COc1ccc2c(=O)n(C)c(C#N)c(-c3ccc(C)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.52
KCNH2 Q12809 7/20 0.52
MAOB P27338 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GRIA2 P42262 2/20 0.39
GRIA4 P48058 2/20 0.39
DPP4 P27487 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3619470 0.94 KCNA5 (0.54) KCNA5KCNH2KDM4EALDH1A1GABRA1
SCHEMBL3625094 0.90 KCNA5 (0.52) KCNA5KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3621163 0.89 KCNA5 (0.58) KCNA5KCNH2MAOBKDM4EALDH1A1
SCHEMBL3627786 0.89 KCNA5 (0.51) KCNA5KCNH2KDM4EALDH1A1LMNA
SCHEMBL3616349 0.89 KCNA5 (0.64) KCNA5KCNH2KDM4EALDH1A1HPGD
SCHEMBL1381724 0.88 KCNA5 (0.51) KCNA5KCNH2KDM4EALDH1A1NPC1
SCHEMBL3619772 0.87 KCNA5 (0.58) KCNA5KCNH2MAOBKDM4EALDH1A1
SCHEMBL3622580 0.87 KCNA5 (0.51) KCNA5KCNH2GABRA1GABRG2GABRB3
SCHEMBL3627068 0.86 KCNA5 (0.54) KCNA5KCNH2MAOBKDM4EGABRA1
SCHEMBL3624730 0.86 KCNA5 (0.56) KCNA5KCNH2GABRA1GABRG2GABRB3

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 5/4885MAOB 2879/4885

“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.