SCHEMBL4472144

SCHEMBL4472144

N#Cc1ccc(C(c2ccc(C#N)cc2)N(c2cccnc2)c2cccc(N)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
CYP11B2 P19099 4/20 0.40
CYP11B1 P15538 3/20 0.35
CYP17A1 P05093 1/20 0.35
CYP3A4 P08684 4/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 1/20 0.34
HSD11B1 P28845 1/20 0.33
KCNA5 P22460 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
NPY5R Q15761 1/20 0.33
CYP3A5 P20815 1/20 0.33
GRM5 P41594 1/20 0.32

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
SCHEMBL4456901 0.97 CYP19A1 (0.49) CYP19A1CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL4462673 0.88 CYP19A1 (0.39) CYP19A1CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL4468106 0.86 CYP19A1 (0.46) CYP19A1CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL4459076 0.83 KCNA5 (0.38) CYP19A1KCNA5
SCHEMBL4458274 0.83 CYP19A1 (0.49) CYP19A1CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL4461908 0.79 CYP19A1 (0.63) CYP19A1CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL14435433 0.77 CFTR (0.42) KCNA5
SCHEMBL4463549 0.77 CYP19A1 (0.43) CYP19A1CYP11B2CYP11B1HSD11B1KCNA5
SCHEMBL4467410 0.74 KCNA5 (0.41) CYP19A1CYP11B2CYP11B1CYP17A1CYP3A4
SCHEMBL4461880 0.74 KCNA5 (0.35) CYP19A1ADORA2AKCNA5

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-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US 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

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 1911/4885CYP11B1 1977/4885

“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.