SCHEMBL1242375

SCHEMBL1242375

c1cncc(C(c2cccnc2)C(c2cccnc2)n2cnnn2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.41
GOPC Q9HD26 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 2/20 0.37
KCNA5 P22460 3/20 0.34
KCNN4 O15554 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
CYP17A1 P05093 1/20 0.33
TSHR P16473 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
SCHEMBL1243818 0.81 CYP19A1 (0.49) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL2733255 0.75 SMN1; SMN2 (0.40) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL3887188 0.72 CFTR (0.62) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL9965186 0.72 CYP19A1 (0.43) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL9965131 0.70 CYP19A1 (0.41) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL1242629 0.68 CYP19A1 (0.57) CYP19A1KCNA5CYP17A1TSHR
SCHEMBL17714539 0.68 FDPS (0.44) KDM4EALDH1A1GAA
SCHEMBL1243320 0.67 CYP19A1 (0.44) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL1242358 0.67 KCNA5 (0.43) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL1240803 0.67 KCNA5 (0.52) SMN1; SMN2KCNA5KDM4EALDH1A1GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP claimed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US claimed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US claimed
EP-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CFTR 256/4885GOPC 1918/4885SLC6A2 382/4885

“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.