SCHEMBL2492073

SCHEMBL2492073

c1cncc(C(Nc2cccnc2N2CCOc3ccccc32)c2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.43
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
P2RY1 P47900 1/20 0.34
NAMPT P43490 1/20 0.34
CYP11B2 P19099 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
CYP11B1 P15538 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 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
SCHEMBL2063380 0.79 KCNA5 (0.44) NUDT1MKNK1MKNK2KDM4CSLC22A12
SCHEMBL2494649 0.79 NUDT1 (0.41) NUDT1MKNK1MKNK2KDM4EALDH1A1
SCHEMBL2494384 0.78 NUDT1 (0.40) NUDT1MKNK1MKNK2NAMPTCYP11B2
SCHEMBL2495797 0.71 NUDT1 (0.48) NUDT1MKNK1MKNK2POLB
SCHEMBL10094229 0.71 NUDT1 (0.45) NUDT1MKNK1MKNK2L3MBTL1LMNA
SCHEMBL1367450 0.70 NUDT1 (0.41) NUDT1MKNK1MKNK2L3MBTL1NAMPT
SCHEMBL4985911 0.69 NUDT1 (0.40) NUDT1MKNK1MKNK2L3MBTL1NAMPT
SCHEMBL22717469 0.68 MYC (0.48) NUDT1L3MBTL1KDM4EALDH1A1KDM4C
SCHEMBL2789857 0.68 NUDT1 (0.55) NUDT1MKNK1MKNK2L3MBTL1LMNA
SCHEMBL4424592 0.65 P2RY1 (0.81) P2RY1

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 12 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
EP-1981508-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089743-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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.