SCHEMBL2829078

SCHEMBL2829078

[c]1ccnc(NC2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.47
CTSK P43235 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH4 Q9H3N8 3/20 0.40
MKNK1 Q9BUB5 1/20 0.39
NUDT1 P36639 1/20 0.38
HCAR3 P49019 1/20 0.38
CDC7 O00311 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
GPR39 O43194 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2829978 0.98 KDM4E (0.47) KDM4EALDH1A1L3MBTL1GAACTSK
SCHEMBL8485490 0.91 ALDH1A1 (0.39) KDM4EALDH1A1L3MBTL1GAACTSK
SCHEMBL6950560 0.83 HRH3 (0.49) KDM4EALDH1A1L3MBTL1HRH4PDGFRB
SCHEMBL20898821 0.83 MAPK1 (0.50) KDM4EALDH1A1L3MBTL1HRH4MKNK1
SCHEMBL20898861 0.81 JAK2 (0.38) KDM4EALDH1A1L3MBTL1CTSKMKNK1
SCHEMBL4709850 0.77 NOS2 (0.40) KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL4709849 0.77 NOS2 (0.40) KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL9901706 0.70 KDM4E (0.53) KDM4EALDH1A1L3MBTL1GAACTSK
SCHEMBL30182919 0.70 KDM4E (0.53) KDM4EALDH1A1L3MBTL1GAACTSK
SCHEMBL30183229 0.70 KDM4E (0.53) KDM4EALDH1A1L3MBTL1GAACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620150-A2 2-Amido Thiazole Based Inhibitors of ATP-Utilizing Enyzmes Genentech, Inc. (US) 2013-07-31 EP claimed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP claimed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 US claimed
EP-1781287-A4 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENYZMES GENENTECH INC (US) 2008-02-27 EP claimed
EP-1781287-A2 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENYZMES Genentech, Inc. (US) 2007-05-09 EP claimed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 US claimed
WO-2006020767-A2 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENZYMES GENENTECH, INC. (US) 2006-02-23 WO claimed
EP-2620150-A2 2-Amido Thiazole Based Inhibitors of ATP-Utilizing Enyzmes Genentech, Inc. (US) 2013-07-31 EP disclosed
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP disclosed
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 US disclosed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP disclosed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 US disclosed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 US disclosed
EP-1781287-A4 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENYZMES GENENTECH INC (US) 2008-02-27 EP disclosed
EP-1781287-A2 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENYZMES Genentech, Inc. (US) 2007-05-09 EP disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 US disclosed
WO-2006020767-A2 THIAZOLE BASED INHIBITORS OF ATP-UTILIZING ENZYMES GENENTECH, INC. (US) 2006-02-23 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-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK KDM4E 3385/4885ALDH1A1 554/4885L3MBTL1 3981/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK KDM4E 3385/4885ALDH1A1 554/4885L3MBTL1 3981/4885

“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.