SCHEMBL4462079

SCHEMBL4462079

N#Cc1ccc(N(c2ccc(Cl)nc2)C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.51
CYP11B2 P19099 3/20 0.41
KCNA5 P22460 5/20 0.39
KCNH2 Q12809 2/20 0.39
CYP2A6 P11509 1/20 0.39
NPY5R Q15761 1/20 0.36
VNN1 O95497 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL4461885 0.87 CYP19A1 (0.59) CYP19A1CYP11B2KCNA5KCNH2NPY5R
SCHEMBL4461686 0.85 CYP2A6 (0.46) CYP19A1KCNA5CYP2A6ALDH1A1MAPT
SCHEMBL4469599 0.85 CYP19A1 (0.51) CYP19A1CYP11B2KCNA5KCNH2NPY5R
SCHEMBL4460426 0.82 CYP19A1 (0.48) CYP19A1CYP11B2KCNA5NPY5RVNN1
SCHEMBL4461908 0.81 CYP19A1 (0.63) CYP19A1CYP11B2KCNA5NPY5RCYP11B1
SCHEMBL4461911 0.80 CYP19A1 (0.46) CYP19A1CYP11B2KCNA5KCNH2VNN1
SCHEMBL4458988 0.80 CYP2A6 (0.39) CYP19A1KCNA5CYP2A6ALDH1A1MAPT
SCHEMBL4468111 0.78 PTGS2 (0.43) CYP2A6CYP3A4CYP3A5ALDH1A1MAPT
SCHEMBL4458274 0.78 CYP19A1 (0.49) CYP19A1CYP11B2KCNA5KCNH2NPY5R
SCHEMBL4466454 0.77 CYP19A1 (0.48) CYP19A1CYP11B2KCNA5VNN1CYP3A4

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 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.