SCHEMBL1108635

SCHEMBL1108635

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.46
CTSK P43235 3/20 0.42
TDP1 Q9NUW8 1/20 0.40
PDE5A O76074 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ADORA2A P29274 5/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
EEF2 P13639 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL12090565 0.87 EEF2K (0.49) EEF2KCTSKTDP1PDE5APDE4A
SCHEMBL1108636 0.82 EEF2K (0.43) EEF2KCTSKTDP1PDE5APDE4A
SCHEMBL1108632 0.79 EEF2K (0.46) EEF2KCTSKTDP1PDE5APDE4A
SCHEMBL1061386 0.77 ALDH1A1 (0.51) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL1108630 0.76 EEF2K (0.51) EEF2KCTSKPDE5APDE4APDE4B
SCHEMBL1108631 0.76 EEF2K (0.48) EEF2KCTSKPDE5APDE4APDE4B
SCHEMBL12090721 0.76 EEF2K (0.46) EEF2KCTSKTDP1PDE5APDE4A
Hydrochloric Acid SCHEMBL1565880 0.75 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7321782 0.75 ADORA2A (0.46) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL9427515 0.75 MEN1 (0.41) NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8420813-B2 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines DOGWOOD PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-20120226040-A1 METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOAKYL SUBSTITUTED XANTHINES DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-06 US disclosed
US-20120226040-A1 METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOAKYL SUBSTITUTED XANTHINES DOGWOOD PHARMACEUTICALS, INC. (US) 2012-09-06 US disclosed
US-7598379-B2 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines PGX HEALTH, LLC (US) 2009-10-06 US disclosed
US-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-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
WO-2006091936-A2 METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOALKYL SUBSTITUTED XANTHINES ADENOSINE THERAPEUTICS, LLC (US) 2006-08-31 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 (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 2793/4885CTSK 1910/4885TDP1 2304/4885
US-20120226040-A1 METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOAKYL SUBSTITUTED XANTHINES ADORA2B, ADORA2A, ADORA3 EEF2K 1679/4885CTSK 734/4885TDP1 2537/4885
US-20070105821-A1 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines ADORA2B, ADORA2A, ADORA3 EEF2K 2606/4885CTSK 1617/4885TDP1 2187/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A EEF2K 1540/4885CTSK 1554/4885TDP1 4746/4885

“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.