SCHEMBL4459003

SCHEMBL4459003

N#Cc1cccc(N(c2cccnc2)C(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.49
KCNA5 P22460 5/20 0.45
KCNH2 Q12809 2/20 0.45
VNN1 O95497 1/20 0.42
GRM5 P41594 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNA5 P30532 2/20 0.40
CHRNA4 P43681 2/20 0.40
MGLL Q99685 1/20 0.40
CYP11B2 P19099 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CLK4 Q9HAZ1 1/20 0.39
NEK1 Q96PY6 1/20 0.36
CFTR P13569 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36

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
SCHEMBL4471213 0.86 KCNA5 (0.42) CYP19A1KCNA5KCNH2VNN1GRM5
SCHEMBL4461885 0.86 CYP19A1 (0.59) CYP19A1KCNA5KCNH2CHRNB2CHRNA5
SCHEMBL4461908 0.86 CYP19A1 (0.63) CYP19A1KCNA5CHRNB2CHRNA5CHRNA4
SCHEMBL14435411 0.82 CFTR (0.50) CYP19A1KCNA5CYP17A1CFTRSLC6A2
SCHEMBL4459552 0.81 KCNA5 (0.42) CYP19A1KCNA5KCNH2VNN1GRM5
SCHEMBL4470049 0.78 KCNA5 (0.46) CYP19A1KCNA5GRM5CYP11B1CFTR
SCHEMBL4462673 0.78 CYP19A1 (0.39) CYP19A1KCNA5KCNH2VNN1GRM5
SCHEMBL4467410 0.78 KCNA5 (0.41) CYP19A1KCNA5KCNH2VNN1GRM5
SCHEMBL4458259 0.77 CFTR (0.55) CYP19A1KCNA5KCNH2CFTRSLC6A2
SCHEMBL4459337 0.77 CFTR (0.55) CYP19A1KCNA5KCNH2CFTRSLC6A2

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 4359/4885KCNA5 11/4885KCNH2 2/4885

“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.