SCHEMBL2494384

SCHEMBL2494384

CN(c1cccnc1N1CCOc2ccccc21)C(c1cccnc1)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.40
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
SLC22A12 Q96S37 4/20 0.34
NOTUM Q6P988 1/20 0.33
PIK3CD O00329 3/20 0.32
PIK3CB P42338 3/20 0.32
PIK3CG P48736 3/20 0.32
PIK3CA P42336 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL2063380 0.78 KCNA5 (0.44) NUDT1MKNK1MKNK2SLC22A12
SCHEMBL2492073 0.78 NUDT1 (0.43) NUDT1MKNK1MKNK2CYP11B2CYP11B1
SCHEMBL2494649 0.78 NUDT1 (0.41) NUDT1MKNK1MKNK2CYP11B2CYP11B1
SCHEMBL10094229 0.73 NUDT1 (0.45) NUDT1MKNK1MKNK2SLC22A12NOTUM
SCHEMBL1367450 0.72 NUDT1 (0.41) NUDT1MKNK1MKNK2CYP11B2CYP11B1
SCHEMBL2495797 0.71 NUDT1 (0.48) NUDT1MKNK1MKNK2NOTUMPIK3CD
SCHEMBL4985911 0.70 NUDT1 (0.40) NUDT1MKNK1MKNK2CYP11B2CYP11B1
SCHEMBL2497924 0.67 CYP11B1 (0.32) NUDT1CYP11B2CYP11B1SLC22A12NOTUM
SCHEMBL22717469 0.67 MYC (0.48) NUDT1SLC22A12NOTUM
SCHEMBL2789857 0.67 NUDT1 (0.55) NUDT1MKNK1MKNK2NOTUMPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069312-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-03-12 US claimed
US-8030332-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-10-04 US disclosed
US-8030332-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-10-04 US disclosed
US-8030332-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-10-04 US disclosed
US-20090069312-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
US-20090069312-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
US-20090069312-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
EP-1981508-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089743-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089743-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-20090069312-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 NUDT1 3404/4885MKNK1 417/4885MKNK2 540/4885

“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.