SCHEMBL4462673

SCHEMBL4462673

N#Cc1cccc(C(c2cccc(C#N)c2)N(c2cccnc2)c2cccc(N)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
CHRNB2 P17787 2/20 0.37
CHRNA5 P30532 2/20 0.37
CHRNA4 P43681 2/20 0.37
GRM5 P41594 1/20 0.37
KCNA5 P22460 5/20 0.37
KCNH2 Q12809 3/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP17A1 P05093 1/20 0.36
ADORA2A P29274 2/20 0.36
VNN1 O95497 1/20 0.35
ATR Q13535 1/20 0.35
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 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
SCHEMBL4472144 0.88 CYP19A1 (0.46) CYP19A1GRM5KCNA5CYP11B1CYP11B2
SCHEMBL4456901 0.88 CYP19A1 (0.49) CYP19A1KCNA5KCNH2CYP11B1CYP11B2
SCHEMBL4467410 0.86 KCNA5 (0.41) CYP19A1CHRNB2CHRNA5CHRNA4GRM5
SCHEMBL4459552 0.84 KCNA5 (0.42) CYP19A1CHRNB2CHRNA5CHRNA4GRM5
SCHEMBL4459076 0.84 KCNA5 (0.38) CYP19A1KCNA5KCNH2ALDH1A1
SCHEMBL4467435 0.78 KCNA5 (0.43) CYP19A1GRM5KCNA5KCNH2VNN1
SCHEMBL4459003 0.78 CYP19A1 (0.49) CYP19A1CHRNB2CHRNA5CHRNA4GRM5
SCHEMBL14435433 0.78 CFTR (0.42) KCNA5KCNH2ALDH1A1
SCHEMBL4464257 0.76 TAAR1 (0.35) KCNA5KCNH2VNN1
SCHEMBL4468106 0.74 CYP19A1 (0.46) CYP19A1GRM5KCNA5KCNH2CYP11B1

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 4359/4885CHRNB2 539/4885CHRNA5 215/4885

“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.