SCHEMBL14907925

SCHEMBL14907925

Cn1cnc2c1c(=O)n(Cc1ccc(O)c(O)c1)c(=O)n2Cc1ccc(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
PDE4A P27815 4/20 0.53
ADORA2A P29274 4/20 0.53
PDE4B Q07343 4/20 0.53
PDE4C Q08493 4/20 0.53
PDE4D Q08499 4/20 0.53
ADORA2B P29275 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HSD17B13 Q7Z5P4 1/20 0.43

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
SCHEMBL14907924 0.81 SMN1; SMN2 (0.58) MAPK1PDE4AADORA2BCYP1A2BLM
SCHEMBL14907910 0.81 SMN1; SMN2 (0.58) MAPK1PDE4AADORA2APDE4BPDE4C
SCHEMBL18990403 0.77 PDE4A (0.57) MAPK1PDE4AADORA2APDE4BPDE4C
SCHEMBL14907967 0.77 PDE4A (0.55) MAPK1PDE4AADORA2APDE4BPDE4C
SCHEMBL15869887 0.76 SMN1; SMN2 (0.53) MAPK1PDE4AADORA2BCYP1A2BLM
SCHEMBL19006914 0.76 MAPK1 (0.53) MAPK1PDE4AADORA2APDE4BPDE4C
SCHEMBL15869886 0.76 SMN1; SMN2 (0.53) MAPK1PDE4AADORA2APDE4BPDE4C
SCHEMBL21360607 0.75 TRPA1 (0.47) MAPK1PDE4DCYP1A2CYP3A4BLM
SCHEMBL18989514 0.74 MAPK1 (0.66) MAPK1ADORA2BCYP1A2CYP3A4BLM
Caffeine SCHEMBL28012764 0.74 ADORA2B (0.57) MAPK1PDE4AADORA2APDE4BPDE4C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753333-B1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED INC (US) 2017-06-21 EP disclosed
EP-2753333-B1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED INC (US) 2017-06-21 EP disclosed
US-9169255-B2 Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies PROTEO TECH INC. (US) 2015-10-27 US disclosed
US-9169255-B2 Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies PROTEO TECH INC. (US) 2015-10-27 US disclosed
US-9169255-B2 Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies PROTEO TECH INC. (US) 2015-10-27 US disclosed
US-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED, INC. 2014-07-10 US disclosed
US-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED, INC. 2014-07-10 US disclosed
US-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED, INC. 2014-07-10 US disclosed
WO-2013062762-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC (US) 2013-05-02 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 (1 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-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SNCA, PARK7, APP MAPK1 1343/4885PDE4A 1703/4885ADORA2A 2640/4885

“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.