SCHEMBL14907911

SCHEMBL14907911

Cn1c(=O)c2c(nc(-c3ccc(O)c(O)c3)n2C)n(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.63
ADORA2A P29274 3/20 0.63
MAOB P27338 2/20 0.62
THRB P10828 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL15869885 0.90 ADORA2B (0.62) ADORA2BADORA2AMAOBTHRBMEN1
SCHEMBL14907928 0.83 SMN1; SMN2 (0.53) MEN1KMT2AHTT
SCHEMBL593805 0.81 ADORA2B (0.77) ADORA2BADORA2AMAOB
SCHEMBL14893396 0.80 ADORA2B (0.59) ADORA2BADORA2AMAOBTHRBMEN1
SCHEMBL15869888 0.79 SMN1; SMN2 (0.49) MEN1KMT2AHTT
SCHEMBL14893220 0.78 ADORA2A (0.60) ADORA2BADORA2AMAOBTHRBMEN1
SCHEMBL1347557 0.78 ADORA2A (0.73) ADORA2BADORA2AMAOBMAOA
SCHEMBL4146728 0.78 ADORA2B (1.00) ADORA2BADORA2AMAOBMAOAHTT
SCHEMBL593636 0.78 ADORA2B (0.68) ADORA2BADORA2AMAOBTHRBKMT2A
SCHEMBL25090598 0.77 ADORA2B (0.59) ADORA2BADORA2AMAOBTHRBMEN1

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 8 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
CN-104010641-B Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies 普罗塔医药公司 2017-04-12 CN 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
CN-104010641-A Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies PROTEOTECH INC 2014-08-27 CN 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 ADORA2B 3019/4885ADORA2A 2640/4885MAOB 194/4885

“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.