SCHEMBL3622912

SCHEMBL3622912

Cc1ccc2c(=O)n(C)c(C#N)c(-c3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.45
KCNH2 Q12809 3/20 0.45
DPP4 P27487 5/20 0.44
MAPK8 P45983 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
TACR1 P25103 1/20 0.41
PDE9A O76083 1/20 0.39
PDE1C Q14123 1/20 0.39
GRIA2 P42262 2/20 0.39
GRIA4 P48058 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
CRHBP P24387 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
SCHEMBL3621940 0.85 DPP4 (0.62) KCNA5KCNH2DPP4MAPK8ALDH1A1
SCHEMBL3624343 0.85 KCNA5 (0.44) KCNA5KCNH2DPP4ALDH1A1KDM4E
SCHEMBL3627056 0.85 KCNA5 (0.48) KCNA5KCNH2DPP4ALDH1A1KDM4E
SCHEMBL3627274 0.85 DPP4 (0.47) KCNA5KCNH2DPP4MAPK8ALDH1A1
SCHEMBL3621922 0.83 KCNA5 (0.45) KCNA5KCNH2DPP4MAPK8ALDH1A1
SCHEMBL3616349 0.83 KCNA5 (0.64) KCNA5KCNH2DPP4MAPK8ALDH1A1
SCHEMBL3615404 0.82 TACR1 (0.47) KCNA5KCNH2DPP4ALDH1A1KDM4E
SCHEMBL3625816 0.82 KCNA5 (0.44) KCNA5KCNH2DPP4MAPK8ALDH1A1
SCHEMBL3612599 0.81 KCNA5 (0.41) KCNA5KCNH2DPP4ALDH1A1KDM4E
SCHEMBL1384463 0.81 KCNA5 (0.48) KCNA5KCNH2DPP4ALDH1A1KDM4E

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-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
CN-1856477-A Isoquinoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN 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
CN-1856477-A Isoquinoline potassium channel inhibitors MERCK & CO INC (US) 2006-11-01 CN 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 5/4885DPP4 2227/4885

“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.