SCHEMBL4456901

SCHEMBL4456901

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.49
CYP11B2 P19099 4/20 0.37
KCNA5 P22460 6/20 0.35
CYP11B1 P15538 3/20 0.33
CYP17A1 P05093 1/20 0.33
CYP3A4 P08684 2/20 0.33
KCNH2 Q12809 3/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 1/20 0.32
HSD11B1 P28845 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 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
SCHEMBL4472144 0.97 CYP19A1 (0.46) CYP19A1CYP11B2KCNA5CYP11B1CYP17A1
SCHEMBL4459076 0.88 KCNA5 (0.38) CYP19A1KCNA5KCNH2
SCHEMBL4462673 0.88 CYP19A1 (0.39) CYP19A1CYP11B2KCNA5CYP11B1CYP17A1
SCHEMBL4458274 0.87 CYP19A1 (0.49) CYP19A1CYP11B2KCNA5CYP11B1CYP17A1
SCHEMBL4461908 0.84 CYP19A1 (0.63) CYP19A1CYP11B2KCNA5CYP11B1CYP17A1
SCHEMBL4468106 0.83 CYP19A1 (0.46) CYP19A1CYP11B2KCNA5CYP11B1CYP17A1
SCHEMBL14435433 0.82 CFTR (0.42) KCNA5KCNH2
SCHEMBL4463549 0.81 CYP19A1 (0.43) CYP19A1CYP11B2KCNA5CYP11B1HSD11B1
SCHEMBL4461885 0.79 CYP19A1 (0.59) CYP19A1CYP11B2KCNA5CYP11B1CYP17A1
SCHEMBL4461880 0.78 KCNA5 (0.35) CYP19A1KCNA5KCNH2ADORA2A

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 8 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
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.