SCHEMBL27140351

SCHEMBL27140351

Cn1c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2n(C)c1=O.[NaH]

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.97
ADORA2A P29274 5/20 0.97
KDM4E B2RXH2 3/20 0.97
ADORA3 P0DMS8 3/20 0.97
ADORA1 P30542 3/20 0.97
HSD17B10 Q99714 3/20 0.97
ALDH1A1 P00352 2/20 0.97
GLA P06280 2/20 0.97
HPGD P15428 2/20 0.97
NFKB1 P19838 1/20 0.97
CYP2C19 P33261 1/20 0.97
MEN1 O00255 1/20 0.66
TSHR P16473 1/20 0.66
KMT2A Q03164 1/20 0.66
CYP1A2 P05177 1/20 0.66
BLM P54132 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66

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
SCHEMBL1320226 0.99 ADORA2B (1.00) ADORA2BADORA2AKDM4EADORA3ADORA1
SCHEMBL25090487 0.87 ADORA2B (0.79) ADORA2BADORA2AKDM4EADORA3ADORA1
SCHEMBL10723936 0.83 ADORA2B (1.00) ADORA2BADORA2AKDM4EADORA3ADORA1
SCHEMBL516013 0.81 ADORA2B (0.77) ADORA2BADORA2AKDM4EADORA3ADORA1
SCHEMBL516029 0.80 ADORA2B (0.75) ADORA2BADORA2AKDM4EADORA3ADORA1
SCHEMBL7318169 0.80 KDM4E (0.76) ADORA2BADORA2AKDM4EADORA3ADORA1
SCHEMBL25090491 0.80 ADORA2B (0.75) ADORA2BADORA2AKDM4EADORA3ADORA1
SCHEMBL515588 0.80 KDM4E (0.76) ADORA2BADORA2AKDM4EADORA3ADORA1
8-Phenyl Theophylline SCHEMBL516432 0.80 ADORA2A (1.00) ADORA2BADORA2AKDM4EADORA3ADORA1
SCHEMBL1321892 0.80 ADORA2B (1.00) ADORA2BADORA2AKDM4EADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245715-A1 SYNERGISTIC FORMULATIONS OF ADENOSINE RECEPTOR MODULATING AGENTS AND ANTICHOLINERGICS UNIV OF ALASKA FAIRBANKS (US) 2024-07-25 US disclosed
US-11911408-B2 Synergistic formulations of adenosine receptor modulating agents and anticholinergics UNIVERSITY OF ALASKA FAIRBANKS (US) 2024-02-27 US disclosed
US-20220288099-A1 SYNERGISTIC FORMULATIONS OF ADENOSINE RECEPTOR MODULATING AGENTS AND ANTICHOLINERGICS UNIVERSITY OF ALASKA FAIRBANKS 2022-09-15 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 (3 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-20220288099-A1 SYNERGISTIC FORMULATIONS OF ADENOSINE RECEPTOR MODULATING AGENTS AND ANTICHOLINERGICS ADORA1, ADORA3, ADORA2A ADORA2B 5/4885ADORA2A 3/4885KDM4E 4464/4885
US-20240245715-A1 SYNERGISTIC FORMULATIONS OF ADENOSINE RECEPTOR MODULATING AGENTS AND ANTICHOLINERGICS ADORA1, ADORA3, ADORA2A ADORA2B 5/4885ADORA2A 3/4885KDM4E 4464/4885
US-11911408-B2 Synergistic formulations of adenosine receptor modulating agents and anticholinergics ADORA1, ADORA3, ADORA2A ADORA2B 5/4885ADORA2A 3/4885KDM4E 4464/4885

“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.