SCHEMBL3892977

SCHEMBL3892977

O=c1[nH]cccc1C(c1ccccn1)C(c1cccnc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.47
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
KCND3 Q9UK17 2/20 0.36
GAA P10253 1/20 0.35
CYP2A6 P11509 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNN4 O15554 2/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL3886105 0.87 CFTR (0.43) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL3886038 0.74 CYP19A1 (0.44) KCNA5GAACYP19A1
SCHEMBL3886725 0.72 KCNA5 (0.49) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1381154 0.70 KCNA5 (0.55) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1380386 0.70 KMO (0.48) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL3899394 0.70 KCNA5 (0.47) KCNA5KCND3GAASMN1; SMN2CYP19A1
SCHEMBL27176406 0.70 KCNA5 (0.54) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1378751 0.69 F7 (0.47) KCNA5
SCHEMBL3886807 0.69 KCNA5 (0.56) KCNA5SLC6A2SLC6A4SLC6A3CFTR
SCHEMBL1382628 0.69 KCNA5 (0.54) KCNA5SLC6A2SLC6A4SLC6A3CFTR

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 14/4885SLC6A2 2093/4885SLC6A4 1764/4885

“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.