SCHEMBL1108636

SCHEMBL1108636

CCCn1c(N)c(N=O)c(=O)n(C2CC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.43
TDP1 Q9NUW8 1/20 0.38
CASP6 P55212 1/20 0.36
CTSK P43235 3/20 0.36
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ADORA2A P29274 5/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
EEF2 P13639 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ADORA1 P30542 2/20 0.32
ADORA2B P29275 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL12090721 0.89 EEF2K (0.46) EEF2KTDP1CASP6CTSKPDE5A
SCHEMBL1108635 0.82 EEF2K (0.46) EEF2KTDP1CTSKPDE5APDE4A
SCHEMBL7356240 0.80 ALDH1A1 (0.47) CASP6PDE4APDE4BPDE4CPDE4D
SCHEMBL7321137 0.79 CASP6 (0.50) TDP1CASP6PDE4APDE4BPDE4C
SCHEMBL9427216 0.78 NPSR1 (0.37) CASP6LMNANPSR1
SCHEMBL12090565 0.76 EEF2K (0.49) EEF2KTDP1CTSKPDE5APDE4A
SCHEMBL7781030 0.76 PDE5A (0.48) CTSKPDE5APDE4APDE4BPDE4C
SCHEMBL242052 0.74 ALDH1A1 (0.41) CASP6PDE4APDE4BPDE4CPDE4D
SCHEMBL1108632 0.74 EEF2K (0.46) EEF2KTDP1CTSKPDE5APDE4A
SCHEMBL13746372 0.74 PDE4A (0.43) CASP6PDE4APDE4BPDE4CPDE4D

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107530349-B Xanthine substituted alkynyl carbamates/trans carbamates as A2B antagonists 路易斯和克拉克制药公司 2021-01-08 CN disclosed
EP-3280417-B1 XANTHINE-SUBSTITUTED ALKYNYL CARBAMATES/REVERSE CARBAMATES AS A2B ANTAGONISTS LEWIS AND CLARK PHARMACEUTICALS INC (US) 2020-07-29 EP disclosed
US-9593118-B2 Xanthine-substituted alkynyl carbamates/reverse carbamates as A2B antagonists LEWIS AND CLARK PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-20160297819-A1 XANTHINE-SUBSTITUTED ALKYNYL CARBAMATES/REVERSE CARBAMATES AS A2B ANTAGONISTS INSPYR THERAPEUTICS, INC 2016-10-13 US disclosed
US-9221821-B2 Methods for the synthesis of 1,3-substituted aminouracils and other xanthine-related compounds Forest Laboratories Holdings, Limited (BM) 2015-12-29 US disclosed
US-9221821-B2 Methods for the synthesis of 1,3-substituted aminouracils and other xanthine-related compounds Forest Laboratories Holdings, Limited (BM) 2015-12-29 US disclosed
US-8501941-B2 Methods for the synthesis of unsymmetrical cycloakyl substituted xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-8501941-B2 Methods for the synthesis of unsymmetrical cycloakyl substituted xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-8420813-B2 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-8420813-B2 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-7618962-B2 Pyrazolyl substituted xanthines PGX HEALTH, LLC (US) 2009-11-17 US disclosed
US-7601723-B2 Pyridyl substituted xanthines PGX HEALTH, LLC (US) 2009-10-13 US disclosed
US-7601723-B2 Pyridyl substituted xanthines PGX HEALTH, LLC (US) 2009-10-13 US disclosed
US-7598379-B2 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines PGX HEALTH, LLC (US) 2009-10-06 US disclosed
US-7598379-B2 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines PGX HEALTH, LLC (US) 2009-10-06 US disclosed
US-20070105821-A1 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines ALLERGAN SALES, LLC 2007-05-10 US disclosed
US-20070105821-A1 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines ALLERGAN SALES, LLC 2007-05-10 US disclosed
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADENOSINE THERAPEUTICS, LLC 2007-03-29 US disclosed
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADENOSINE THERAPEUTICS, LLC 2007-03-29 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 US 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 (4 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-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 EEF2K 2793/4885TDP1 2304/4885CASP6 4356/4885
US-20070105821-A1 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines ADORA2B, ADORA2A, ADORA3 EEF2K 2606/4885TDP1 2187/4885CASP6 4001/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A EEF2K 1540/4885TDP1 4746/4885CASP6 4338/4885
US-20160297819-A1 XANTHINE-SUBSTITUTED ALKYNYL CARBAMATES/REVERSE CARBAMATES AS A2B ANTAGONISTS ADORA2B, ADORA2A, ADORA3 EEF2K 3786/4885TDP1 1815/4885CASP6 1667/4885

“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.