SCHEMBL4467734

SCHEMBL4467734

CCCn1c(=O)cc(C)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
PDE4A P27815 6/20 0.41
ADORA2A P29274 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2B P29275 3/20 0.41
ADORA1 P30542 2/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
PDE3A Q14432 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL1702032 0.89 TSHR (0.55) TSHRMAPTPDE4AADORA2APDE4B
SCHEMBL4771370 0.84 ALDH1A1 (0.53) TSHRSMN1; SMN2MAPTPDE4AADORA2A
SCHEMBL14592881 0.80 DAO (0.41) TSHRSMN1; SMN2ALDH1A1
SCHEMBL7832602 0.80 ADRA1D (0.42) TSHRSMN1; SMN2
SCHEMBL1546096 0.79 MAPT (0.49) TSHRSMN1; SMN2GLAMAPTPDE4A
SCHEMBL3297433 0.79 KMT2A (0.54) TSHRSMN1; SMN2GLAMAPTPDE4A
SCHEMBL10085010 0.79 ADORA2B (0.42) SMN1; SMN2GLAMAPTPDE4AADORA2A
SCHEMBL8768828 0.78 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL4770759 0.78 KMT2A (0.55) TSHRSMN1; SMN2MAPTADORA3ADORA2B
SCHEMBL9765877 0.77 SMN1; SMN2 (0.42) TSHRSMN1; SMN2GLAMAPTPDE4A

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-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
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-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-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
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-1889845-A1 NOVEL PLEUROMUTILIN DERIVATIVES SmithKline Beecham P.L.C. (GB) 2008-02-20 EP 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 TSHR 345/4885SMN1; SMN2 3877/4885GLA 4345/4885
US-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 TSHR 351/4885SMN1; SMN2 3995/4885GLA 3093/4885
US-20090082347-A1 PYRROLO[3,2-D]PYRIMIDINES THAT ARE SELECTIVE ANTAGONISTS OF A2B ADENOSINE RECEPTORS ADORA2B, ADORA2A, ADORA3 TSHR 247/4885SMN1; SMN2 4068/4885GLA 4409/4885

“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.