SCHEMBL3615404

SCHEMBL3615404

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.47
KCNA5 P22460 4/20 0.46
KCNH2 Q12809 3/20 0.46
PGR P06401 1/20 0.43
NR1H3 Q13133 1/20 0.43
DPP4 P27487 2/20 0.41
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CTSK P43235 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
SCHEMBL3627056 0.84 KCNA5 (0.48) TACR1KCNA5KCNH2DPP4KDM4E
SCHEMBL3622912 0.82 KCNA5 (0.45) TACR1KCNA5KCNH2DPP4KDM4E
SCHEMBL3626880 0.81 KCNA5 (0.39) TACR1KCNA5KCNH2PGRNR1H3
SCHEMBL3627068 0.81 KCNA5 (0.54) KCNA5KCNH2PGRKDM4EGLA
SCHEMBL1381734 0.81 KCNA5 (0.68) KCNA5KCNH2PGRKDM4EALDH1A1
SCHEMBL3621940 0.81 DPP4 (0.62) TACR1KCNA5KCNH2DPP4KDM4E
SCHEMBL3624343 0.81 KCNA5 (0.44) KCNA5KCNH2DPP4KDM4EALDH1A1
SCHEMBL3627274 0.81 DPP4 (0.47) KCNA5KCNH2DPP4KDM4EALDH1A1
SCHEMBL3621922 0.79 KCNA5 (0.45) TACR1KCNA5KCNH2PGRDPP4
SCHEMBL3616349 0.79 KCNA5 (0.64) KCNA5KCNH2DPP4KDM4EALDH1A1

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 2 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

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 TACR1 2086/4885KCNA5 14/4885KCNH2 5/4885

“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.