SCHEMBL4465855

SCHEMBL4465855

Brc1ccc(C(c2cccnc2)N(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
GOPC Q9HD26 1/20 0.41
CYP19A1 P11511 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNN4 O15554 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
SCHEMBL14435411 0.88 CFTR (0.50) KCNA5SLC6A4SLC6A3CFTRSLC6A2
SCHEMBL4459337 0.86 CFTR (0.55) KCNA5SLC6A4SLC6A3CFTRSLC6A2
SCHEMBL4463317 0.85 CFTR (0.53) KCNA5SLC6A4SLC6A3CFTRSLC6A2
SCHEMBL4458259 0.83 CFTR (0.55) KCNA5SLC6A4SLC6A3CFTRSLC6A2
SCHEMBL4462106 0.83 CFTR (0.53) KCNA5SLC6A4SLC6A3CFTRSLC6A2
SCHEMBL4461908 0.80 CYP19A1 (0.63) KCNA5SLC6A4SLC6A3CFTRSLC6A2
SCHEMBL4464202 0.79 CFTR (0.59) KCNA5SLC6A4SLC6A3CFTRSLC6A2
SCHEMBL14435716 0.75 KCNA5 (0.42) KCNA5SLC6A4SLC6A3CFTRSLC6A2
SCHEMBL4470049 0.75 KCNA5 (0.46) KCNA5SLC6A4SLC6A3CFTRSLC6A2
SCHEMBL4461686 0.75 CYP2A6 (0.46) KCNA5SLC6A4SLC6A3CFTRSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 KCNA5 11/4885SLC6A4 438/4885SLC6A3 634/4885

“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.