SCHEMBL1108631

SCHEMBL1108631

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.48
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
EEF2 P13639 1/20 0.39
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR3E A5X5Y0 2/20 0.36
HTR3B O95264 2/20 0.36
HTR3A P46098 2/20 0.36
HTR3D Q70Z44 2/20 0.36
HTR3C Q8WXA8 2/20 0.36
CTSK P43235 3/20 0.35
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 3/20 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
SCHEMBL1108630 0.88 EEF2K (0.51) EEF2KNPC1RAB9AEEF2HPGD
SCHEMBL28863515 0.78 ALDH1A1 (0.45) EEF2KHPGDALDH1A1DRD2SLC6A4
SCHEMBL2330664 0.78 ALDH1A1 (0.47) HPGDALDH1A1PDE4APDE4BPDE4C
SCHEMBL1546589 0.76 HPGD (0.58) HPGDALDH1A1PDE4APDE4BPDE4C
SCHEMBL1108635 0.76 EEF2K (0.46) EEF2KNPC1RAB9AEEF2ALDH1A1
SCHEMBL9427221 0.76 PIK3CA (0.35) EEF2KEEF2ALDH1A1CYP3A4
SCHEMBL239409 0.75 ALDH1A1 (0.45) HPGDALDH1A1PDE4APDE4BPDE4C
SCHEMBL7783277 0.74 PDE5A (0.45) ALDH1A1CTSKPDE5APDE4APDE4B
SCHEMBL12090565 0.73 EEF2K (0.49) EEF2KEEF2ALDH1A1CTSKPDE5A
SCHEMBL28863512 0.71 HPGD (0.41) EEF2KEEF2HPGDALDH1A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8153628-B2 Pyrazolyl substituted xanthines FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-04-10 US disclosed
US-8153628-B2 Pyrazolyl substituted xanthines FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-04-10 US disclosed
US-20100120765-A1 PYRAZOLYL SUBSTITUTED XANTHINES PGXHEALTH, LLC (US) 2010-05-13 US disclosed
US-20100120765-A1 PYRAZOLYL SUBSTITUTED XANTHINES PGXHEALTH, LLC (US) 2010-05-13 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 (5 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-20100120765-A1 PYRAZOLYL SUBSTITUTED XANTHINES ADORA2B, ADORA2A, ADORA3 EEF2K 2793/4885NPC1 1223/4885RAB9A 2666/4885
US-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 EEF2K 2793/4885NPC1 1223/4885RAB9A 2666/4885
US-20120226040-A1 METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOAKYL SUBSTITUTED XANTHINES ADORA2B, ADORA2A, ADORA3 EEF2K 1679/4885NPC1 2226/4885RAB9A 3819/4885
US-20070105821-A1 Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines ADORA2B, ADORA2A, ADORA3 EEF2K 2606/4885NPC1 1510/4885RAB9A 3761/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A EEF2K 1540/4885NPC1 1996/4885RAB9A 2745/4885

“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.