SCHEMBL3899394

SCHEMBL3899394

N#Cc1cccc(C(c2ccccn2)C(c2cccnc2)c2cccnc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.47
KCND3 Q9UK17 1/20 0.37
CYP19A1 P11511 1/20 0.36
GRK6 P43250 1/20 0.36
EGFR P00533 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
VNN1 O95497 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL1381711 0.83 KCNA5 (0.42) KCNA5CYP19A1EGFRGAAALDH1A1
SCHEMBL3886725 0.82 KCNA5 (0.49) KCNA5KCND3GRK6GAAALDH1A1
SCHEMBL3898324 0.79 KCNA5 (0.44) KCNA5KCND3CYP19A1EGFRALDH1A1
SCHEMBL1380955 0.76 CYP19A1 (0.46) KCNA5CYP19A1ALDH1A1MAPTKDM4E
SCHEMBL1377857 0.75 CYP19A1 (0.58) KCNA5KCND3CYP19A1EGFRSMN1; SMN2
SCHEMBL1380001 0.73 CYP19A1 (0.46) KCNA5KCND3CYP19A1EGFRSMN1; SMN2
SCHEMBL3889011 0.72 ATM (0.43) KCNA5CYP19A1EGFRALDH1A1SMN1; SMN2
SCHEMBL27176406 0.70 KCNA5 (0.54) KCNA5KCND3GAAALDH1A1SMN1; SMN2
SCHEMBL5552060 0.70 GAA (0.60) KCNA5CYP19A1GAAALDH1A1HPGD
SCHEMBL3892977 0.70 KCNA5 (0.47) KCNA5KCND3CYP19A1GAASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776355-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-06-12 EP 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-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.