SCHEMBL2399559

SCHEMBL2399559

COc1cncc(N(S)C(N)=O)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.37
NNMT P40261 4/20 0.36
POLB P06746 1/20 0.33
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MAP4K4 O95819 1/20 0.31
CYP1A2 P05177 1/20 0.30
ATM Q13315 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL2393239 0.76 CDK2 (0.41) SIRT6MKNK1MKNK2MAP4K4
SCHEMBL9763408 0.71 CYP1A2 (0.43) SIRT6NNMTPOLBALDH1A1KDM4E
SCHEMBL2217788 0.70 SIRT6 (0.55) SIRT6NNMTPOLBMKNK1MKNK2
SCHEMBL1082935 0.70 SIRT6 (0.42) SIRT6NNMTPOLBMKNK1MKNK2
SCHEMBL2397345 0.68 NNMT (0.54) SIRT6NNMTMKNK1MKNK2ALDH1A1
SCHEMBL14742483 0.68 PARP10 (0.41) NNMTALDH1A1KDM4EMAP4K4
SCHEMBL3063023 0.67 CYP11B2 (0.41) SIRT6POLBALDH1A1KDM4ECYP11B1
SCHEMBL1889093 0.67 ADORA3 (0.47) SIRT6POLBKDM4E
SCHEMBL27858686 0.66 SIRT6 (0.40) SIRT6NNMTPOLBALDH1A1KDM4E
SCHEMBL28443920 0.66 SIRT6 (0.38) SIRT6NNMTPOLBMKNK1MKNK2

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-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
US-7109202-B2 Aminothaizoles and their use as adenosine receptor antagonists NOVARTIS AG (CH) 2006-09-19 US disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
EP-1339711-B1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-07-27 EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 WO disclosed
US-20040053982-A1 Aminothaizoles and their use as adenosine receptor antagonists NOVARTIS AG (CH) 2004-03-18 US disclosed
EP-1339711-A1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2003-09-03 EP disclosed
WO-2002042298-A1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2002-05-30 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 (2 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-20040053982-A1 Aminothaizoles and their use as adenosine receptor antagonists ADORA1, ADORA3, HCAR1 SIRT6 3199/4885NNMT 2681/4885POLB 3598/4885
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 SIRT6 2987/4885NNMT 1536/4885POLB 3249/4885

“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.