SCHEMBL4459552

SCHEMBL4459552

N#Cc1cccc(C(c2cccnc2)N(c2cccnc2)c2cccc(Cl)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.42
KCNH2 Q12809 2/20 0.42
CYP19A1 P11511 3/20 0.40
GRM5 P41594 2/20 0.36
VNN1 O95497 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA5 P30532 2/20 0.36
CHRNA4 P43681 2/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP17A1 P05093 1/20 0.35
MGLL Q99685 1/20 0.34
S1PR1 P21453 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 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
SCHEMBL4467410 0.98 KCNA5 (0.41) KCNA5KCNH2CYP19A1GRM5VNN1
SCHEMBL4458274 0.90 CYP19A1 (0.49) KCNA5KCNH2CYP19A1CYP11B1CYP11B2
SCHEMBL4461625 0.87 CYP19A1 (0.40) KCNA5KCNH2CYP19A1
SCHEMBL4468106 0.86 CYP19A1 (0.46) KCNA5KCNH2CYP19A1GRM5CYP11B1
SCHEMBL4462673 0.84 CYP19A1 (0.39) KCNA5KCNH2CYP19A1GRM5VNN1
SCHEMBL4458972 0.84 CFTR (0.41) KCNA5KCNH2CYP19A1ALDH1A1
SCHEMBL4462104 0.81 CFTR (0.42) KCNA5KCNH2CYP19A1ALDH1A1
SCHEMBL4459003 0.81 CYP19A1 (0.49) KCNA5KCNH2CYP19A1GRM5VNN1
SCHEMBL4467435 0.80 KCNA5 (0.43) KCNA5KCNH2CYP19A1GRM5VNN1
SCHEMBL14435390 0.80 CYP19A1 (0.38) KCNA5KCNH2CYP19A1GRM5CYP3A4

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 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 11/4885KCNH2 2/4885CYP19A1 4359/4885

“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.