SCHEMBL24901916

SCHEMBL24901916

CC(C)(C)Oc1cc(N)n2nc(-c3ccco3)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.53
ADORA1 P30542 9/20 0.53
ADORA2B P29275 6/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ADORA3 P0DMS8 7/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 1/20 0.44

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
SCHEMBL3626717 0.81 ADORA2A (0.66) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL5103136 0.79 ADORA2A (0.63) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL24901912 0.79 ADORA2A (0.54) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL3542516 0.77 ADORA2A (0.60) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL23447728 0.77 ADORA3 (0.64) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL23413556 0.75 ADORA2A (0.53) ADORA2AADORA1ADORA2BALDH1A1ADORA3
SCHEMBL30153455 0.72 ADORA2A (0.61) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL9428047 0.70 ADORA2A (0.69) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL23447725 0.70 ADORA2A (0.72) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL24901914 0.70 ADORA2A (0.76) ADORA2AADORA1ADORA2BALDH1A1ADORA3

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 1/4885ADORA1 4/4885ADORA2B 2/4885

“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.