SCHEMBL4469156

SCHEMBL4469156

CCCn1c(C)cc(=O)n(CCC)c1=O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.49
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ACHE P22303 5/20 0.47
BCHE P06276 4/20 0.47
POLB P06746 1/20 0.46
ADRA2A P08913 1/20 0.42
PDE4A P27815 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4767726 0.88 CNR2 (0.57) CNR2KDM4EALDH1A1ACHEBCHE
SCHEMBL19147985 0.86 CNR2 (0.63) CNR2KDM4EALDH1A1ACHEBCHE
SCHEMBL30471915 0.86 ALDH1A1 (0.50) CNR2KDM4EUSP2ALDH1A1ACHE
SCHEMBL11556471 0.82 ALDH1A1 (0.52) CNR2KDM4EALDH1A1ACHEBCHE
SCHEMBL14003142 0.80 KDM4E (0.45) CNR2KDM4EUSP2ALDH1A1POLB
SCHEMBL11507398 0.79 CNR2 (0.43) CNR2KDM4EALDH1A1ACHEBCHE
SCHEMBL4767957 0.79 ALDH1A1 (0.52) CNR2KDM4EALDH1A1ACHEBCHE
SCHEMBL4768929 0.78 POLB (0.59) CNR2KDM4EALDH1A1ACHEBCHE
SCHEMBL8175634 0.78 ADRA2A (0.50) CNR2KDM4EALDH1A1ACHEBCHE
SCHEMBL10501065 0.78 ADORA2A (0.39) KDM4EUSP2PDE4AADORA2AADORA2B

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 21 patents — showing the first 20. 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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP 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-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 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
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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 (3 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 CNR2 67/4885KDM4E 2977/4885USP2 4367/4885
US-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 CNR2 21/4885KDM4E 3386/4885USP2 1300/4885
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADORA2B, ADORA2A, ADORA3 CNR2 61/4885KDM4E 3826/4885USP2 4308/4885

“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.