SCHEMBL3621940

SCHEMBL3621940

Cn1c(C#N)c(-c2ccccc2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.62
TACR1 P25103 1/20 0.45
KCNA5 P22460 4/20 0.44
KCNH2 Q12809 3/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MAPK8 P45983 1/20 0.43
GLA P06280 1/20 0.42
MAOA P21397 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
SCHEMBL3622912 0.85 KCNA5 (0.45) DPP4TACR1KCNA5KCNH2KDM4E
SCHEMBL3627274 0.84 DPP4 (0.47) DPP4KCNA5KCNH2KDM4EALDH1A1
SCHEMBL3624343 0.84 KCNA5 (0.44) DPP4KCNA5KCNH2KDM4EALDH1A1
SCHEMBL3627056 0.84 KCNA5 (0.48) DPP4TACR1KCNA5KCNH2KDM4E
SCHEMBL3621922 0.82 KCNA5 (0.45) DPP4TACR1KCNA5KCNH2KDM4E
SCHEMBL3616349 0.82 KCNA5 (0.64) DPP4KCNA5KCNH2KDM4EALDH1A1
SCHEMBL3615404 0.81 TACR1 (0.47) DPP4TACR1KCNA5KCNH2KDM4E
SCHEMBL8785047 0.81 DPP4 (0.72) DPP4TACR1KCNA5KCNH2MAPK8
SCHEMBL3625816 0.81 KCNA5 (0.44) DPP4KCNA5KCNH2KDM4EALDH1A1
SCHEMBL1384463 0.80 KCNA5 (0.48) DPP4KCNA5KCNH2KDM4EALDH1A1

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 2227/4885TACR1 2086/4885KCNA5 14/4885

“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.