SCHEMBL4458274

SCHEMBL4458274

N#Cc1ccc(C(c2cccnc2)N(c2cccnc2)c2cccc(Cl)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.49
CYP11B2 P19099 4/20 0.37
KCNA5 P22460 4/20 0.36
KCNH2 Q12809 2/20 0.36
CYP11B1 P15538 3/20 0.33
CYP17A1 P05093 1/20 0.33
CYP3A4 P08684 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPY5R Q15761 1/20 0.31
CYP3A5 P20815 1/20 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
SCHEMBL4468106 0.97 CYP19A1 (0.46) CYP19A1CYP11B2KCNA5KCNH2CYP11B1
SCHEMBL4459552 0.90 KCNA5 (0.42) CYP19A1CYP11B2KCNA5KCNH2CYP11B1
SCHEMBL4461625 0.88 CYP19A1 (0.40) CYP19A1KCNA5KCNH2L3MBTL1
SCHEMBL4467410 0.88 KCNA5 (0.41) CYP19A1CYP11B2KCNA5KCNH2CYP11B1
SCHEMBL4458972 0.87 CFTR (0.41) CYP19A1KCNA5KCNH2
SCHEMBL4456901 0.87 CYP19A1 (0.49) CYP19A1CYP11B2KCNA5KCNH2CYP11B1
SCHEMBL4461908 0.84 CYP19A1 (0.63) CYP19A1CYP11B2KCNA5CYP11B1CYP17A1
SCHEMBL4472144 0.83 CYP19A1 (0.46) CYP19A1CYP11B2KCNA5CYP11B1CYP17A1
SCHEMBL4462104 0.82 CFTR (0.42) CYP19A1KCNA5KCNH2
SCHEMBL14435390 0.81 CYP19A1 (0.38) CYP19A1KCNA5KCNH2CYP3A4L3MBTL1

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
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
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 CYP19A1 4359/4885CYP11B2 1911/4885KCNA5 11/4885

“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.