SCHEMBL3617439

SCHEMBL3617439

CC(=O)Nc1ccc2c(=O)n(C)c(C#N)c(-c3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.53
TDP1 Q9NUW8 4/20 0.44
G6PD P11413 2/20 0.44
TLR9 Q9NR96 1/20 0.44
NPC1 O15118 1/20 0.43
TACR1 P25103 1/20 0.43
KCNA5 P22460 2/20 0.42
KCNH2 Q12809 1/20 0.42
IMPDH2 P12268 1/20 0.42
PGR P06401 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 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
SCHEMBL3625816 0.85 KCNA5 (0.44) DPP4KCNA5KCNH2KDM4EALDH1A1
SCHEMBL3618604 0.82 BRD4 (0.47) NPC1KCNA5KCNH2IMPDH2PGR
SCHEMBL3622912 0.79 KCNA5 (0.45) DPP4TDP1TACR1KCNA5KCNH2
SCHEMBL3622966 0.79 KCNA5 (0.42) DPP4TACR1KCNA5KCNH2KDM4E
SCHEMBL3624343 0.78 KCNA5 (0.44) DPP4TDP1KCNA5KCNH2KDM4E
SCHEMBL3627274 0.78 DPP4 (0.47) DPP4KCNA5KCNH2KDM4EALDH1A1
SCHEMBL3627056 0.78 KCNA5 (0.48) DPP4TDP1TACR1KCNA5KCNH2
SCHEMBL3621940 0.78 DPP4 (0.62) DPP4TACR1KCNA5KCNH2KDM4E
SCHEMBL3615404 0.78 TACR1 (0.47) DPP4TACR1KCNA5KCNH2PGR
SCHEMBL1384463 0.77 KCNA5 (0.48) DPP4KCNA5KCNH2PGRKDM4E

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 DPP4 2227/4885TDP1 2387/4885G6PD 1505/4885

“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.