SCHEMBL3899472

SCHEMBL3899472

Clc1ccnc(C(c2cccc(Br)n2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.42
KCND3 Q9UK17 2/20 0.38
CYP19A1 P11511 2/20 0.38
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR3 Q99500 1/20 0.37
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
KCNH2 Q12809 1/20 0.36
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
XBP1 P17861 1/20 0.32
STAT3 P40763 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL3886807 0.83 KCNA5 (0.56) KCNA5KCND3CYP19A1KCNH2SLC6A2
SCHEMBL3899448 0.83 KCNA5 (0.47) KCNA5KCND3CYP19A1S1PR2S1PR4
SCHEMBL3886582 0.82 CFTR (0.46) KCNA5KCND3CYP19A1S1PR2S1PR4
SCHEMBL3813871 0.81 KCNA5 (0.45) KCNA5KCND3S1PR2S1PR4S1PR3
SCHEMBL3826068 0.79 KCNA5 (0.40) KCNA5KCND3CYP19A1S1PR2S1PR4
SCHEMBL3889985 0.78 KCNA5 (0.48) KCNA5KCND3CYP19A1S1PR2S1PR4
SCHEMBL3886742 0.78 KCNA5 (0.65) KCNA5KCND3KCNE1KCNQ1KCNH2
SCHEMBL3812277 0.76 KCNA5 (0.41) KCNA5KCND3KCNE1KCNQ1SLC6A2
SCHEMBL3889459 0.75 CYP19A1 (0.40) KCNA5KCND3CYP19A1S1PR2S1PR4
SCHEMBL3809301 0.74 KCNA5 (0.61) KCNA5KCND3CYP19A1KCNE1KCNQ1

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-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
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 KCNA5 14/4885KCND3 41/4885CYP19A1 4696/4885

“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.