SCHEMBL2049952

SCHEMBL2049952

CC1(C)OB(c2ccnc(CC(N)=O)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.40
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
ROCK1 Q13464 1/20 0.37
DGAT1 O75907 1/20 0.37
HIF1A Q16665 3/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
LIPG Q9Y5X9 4/20 0.36
LPL P06858 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL2053263 0.86 GSK3A (0.40) F11F2PRSS1PRSS2PRSS3
SCHEMBL28507924 0.83 F11 (0.37) F11F2PRSS1PRSS2PRSS3
SCHEMBL18274832 0.82 HIF1A (0.39) ROCK1DGAT1HIF1AGSK3AGSK3B
SCHEMBL15984293 0.81 LIPG (0.39) F11DGAT1HIF1AGSK3AGSK3B
SCHEMBL30404549 0.80 LIPG (0.51) F11F2PRSS1PRSS2PRSS3
SCHEMBL2458829 0.79 LPL (0.44) F11HIF1AGSK3AGSK3BLIPG
SCHEMBL31227320 0.79 LPL (0.44) F11HIF1AGSK3AGSK3BLIPG
SCHEMBL513774 0.79 DGAT1 (0.48) F11F2PRSS1PRSS2PRSS3
SCHEMBL1476168 0.78 DGAT1 (0.38) ROCK1DGAT1HIF1AGSK3AGSK3B
SCHEMBL3476747 0.78 HIF1A (0.40) DGAT1HIF1AGSK3AGSK3BPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073326-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-16 US disclosed
EP-3094326-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2016-11-23 EP disclosed
EP-2970323-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-01-20 EP disclosed
EP-2920183-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS Glaxosmithkline LLC (US) 2015-09-23 EP disclosed
WO-2015108881-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-23 WO disclosed
EP-2793894-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
EP-2793879-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
WO-2014140077-A1 FUROPYRIDINES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-09-18 WO disclosed
WO-2014078257-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-22 WO disclosed
WO-2013096637-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096642-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
EP-2516423-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer CropScience AG (DE) 2012-10-31 EP disclosed
WO-2011076725-A1 THIENYLPYRI (MI) DINYLAZOLE AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER CROPSCIENCE AG (DE) 2011-06-30 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 (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-20170073326-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B F11 4131/4885F2 4631/4885PRSS1 858/4885

“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.