SCHEMBL24901990

SCHEMBL24901990

CC(C)Nc1cc2nc(-c3ccco3)nn2c(N)n1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.63
ADORA3 P0DMS8 1/20 0.63
ADORA1 P30542 1/20 0.63

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
SCHEMBL23447729 0.83 ADORA2A (0.60) ADORA2A
SCHEMBL19596873 0.80 ADORA2A (0.68) ADORA2A
SCHEMBL5653322 0.79 ADORA2A (0.71) ADORA2AADORA1
SCHEMBL6047383 0.79 KDM4E (0.56) ADORA2AADORA3ADORA1
SCHEMBL6047213 0.78 ADORA2A (0.82) ADORA2A
SCHEMBL12612295 0.77 ADORA2A (0.68) ADORA2AADORA1
SCHEMBL3541623 0.77 ADORA2A (0.68) ADORA2AADORA3ADORA1
SCHEMBL9329196 0.77 ADORA2A (1.00) ADORA2AADORA3ADORA1
SCHEMBL6623709 0.76 ADORA2A (0.63) ADORA2A
SCHEMBL27340603 0.75 ADORA2A (0.48) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-01-26 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 (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-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS ADORA2A, ADORA2B, ENTPD5 ADORA2A 1/4885ADORA3 5/4885ADORA1 4/4885

“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.