SCHEMBL4476345

SCHEMBL4476345

CCCNC(=O)NC(=O)CC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.47
KDM4C Q9H3R0 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL30943103 0.88 EPHX1 (0.55) EPHX1MMP1MMP2MEN1KMT2A
SCHEMBL196214 0.82 EPHX1 (0.50) EPHX1KDM4CGAAMAPTKDM4E
SCHEMBL10603233 0.81 MCL1 (0.52) EPHX1KDM4CGAAMCL1ALDH1A1
SCHEMBL1964189 0.80 EPHX1 (0.48) EPHX1KDM4CGAAMAPTKDM4E
SCHEMBL2834332 0.79 EPHX1 (0.52) EPHX1KDM4CMAPTKDM4EMCL1
SCHEMBL2138401 0.77 FNTA (0.41) EPHX1KDM4CGAAMAPTKDM4E
SCHEMBL2138406 0.77 FNTA (0.41) EPHX1KDM4CGAAMAPTKDM4E
Dimethylamine SCHEMBL6391439 0.77 MCL1 (0.48) EPHX1KDM4CGAAMCL1MMP1
SCHEMBL319971 0.75 EPHX1 (0.71) EPHX1KDM4CMAPTKDM4EMCL1
SCHEMBL3991887 0.74 MCL1 (0.71) EPHX1KDM4CGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349848-B2 Pyrrolo[3,2-D]pyrimidines that are selective antagonists of A2B adenosine receptors Dogwoof Pharmaceuticals, Inc. (US) 2013-01-08 US disclosed
US-8349848-B2 Pyrrolo[3,2-D]pyrimidines that are selective antagonists of A2B adenosine receptors Dogwoof Pharmaceuticals, Inc. (US) 2013-01-08 US disclosed
US-8349848-B2 Pyrrolo[3,2-D]pyrimidines that are selective antagonists of A2B adenosine receptors Dogwoof Pharmaceuticals, Inc. (US) 2013-01-08 US disclosed
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2009-03-26 US disclosed
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2009-03-26 US disclosed
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2009-03-26 US disclosed
US-7470697-B2 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2B adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2008-12-30 US disclosed
US-7470697-B2 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2B adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2008-12-30 US disclosed
US-7470697-B2 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2B adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2008-12-30 US disclosed
US-20080125425-A1 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2badenosine receptors ADENOSINE THERAPEUTICS, LLC 2008-05-29 US disclosed
US-20080125425-A1 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2badenosine receptors ADENOSINE THERAPEUTICS, LLC 2008-05-29 US disclosed
US-20080125425-A1 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2badenosine receptors ADENOSINE THERAPEUTICS, LLC 2008-05-29 US disclosed
WO-2008027585-A2 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2008-03-06 WO disclosed
WO-2008027585-A2 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2008-03-06 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-20080125425-A1 Pyrrolo[3,2-D] pyrimidines that are selective antagonists of A2badenosine receptors ADORA2B, ADORA2A, ADORA3 EPHX1 1678/4885KDM4C 3899/4885GAA 2048/4885
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADORA2B, ADORA2A, ADORA3 EPHX1 1541/4885KDM4C 4348/4885GAA 3021/4885

“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.