SCHEMBL14907910

SCHEMBL14907910

Cn1c(=O)c2c(ncn2Cc2ccc(O)c(O)c2)n(Cc2ccc(O)c(O)c2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
UBE2N P61088 2/20 0.58
MAPK1 P28482 1/20 0.56
PDE1A P54750 1/20 0.56
PDE1B Q01064 1/20 0.56
PDE1C Q14123 1/20 0.56
ADORA2B P29275 4/20 0.54
RXFP1 Q9HBX9 2/20 0.54
ABCC8 Q09428 1/20 0.54
KCNJ11 Q14654 1/20 0.54
GLA P06280 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.52
PDE4A P27815 7/20 0.51
PDE4B Q07343 7/20 0.51
PDE4C Q08493 7/20 0.51
PDE4D Q08499 7/20 0.51
ADORA2A P29274 3/20 0.51

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
SCHEMBL15869886 0.94 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL14907924 0.91 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL15869887 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL556216 0.81 SMN1; SMN2 (0.80) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL14907925 0.81 MAPK1 (0.55) MAPK1ADORA2BPDE4APDE4BPDE4C
SCHEMBL15870738 0.78 ADORA2A (0.54) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL19006847 0.77 PDE1A (0.60) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL17750785 0.76 LMNA (0.89) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL555839 0.76 PDE1A (0.67) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL21360607 0.76 TRPA1 (0.47) LMNAMAPK1GLATP53PDE4D

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 6 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
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
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 SMN1; SMN2 20/4885LMNA 1005/4885HTT 8/4885

“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.