SCHEMBL3889459

SCHEMBL3889459

N#Cc1cccc(C(c2cccc(Br)n2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
KCNA5 P22460 5/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
KCND3 Q9UK17 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA4 P43681 1/20 0.33
CFTR P13569 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GOPC Q9HD26 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KCNN4 O15554 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL13716096 0.92 CYP19A1 (0.45) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL3899448 0.85 KCNA5 (0.47) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL1380804 0.84 KCNA5 (0.38) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL3886582 0.84 CFTR (0.46) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL3814296 0.82 CHRNB2 (0.44) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL3889985 0.80 KCNA5 (0.48) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL3812277 0.78 KCNA5 (0.41) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL3813871 0.77 KCNA5 (0.45) KCNA5KCNE1KCNQ1KCND3SMN1; SMN2
SCHEMBL3809301 0.76 KCNA5 (0.61) CYP19A1KCNA5KCNE1KCNQ1KCND3
SCHEMBL3826068 0.76 KCNA5 (0.40) CYP19A1KCNA5KCNE1KCNQ1KCND3

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-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias MERCK SHARP & DOHME LLC 2006-02-09 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-20060030595-A1 (R)-N-{6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]pyridin-2-yl}methanesulfonamide; cardiac arrhythmias KCNN2, KCNJ2, KCNH2 CYP19A1 4696/4885KCNA5 14/4885KCNE1 9/4885

“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.