SCHEMBL24901943

SCHEMBL24901943

Nc1cccc(CCNc2nc(N)n3nc(-c4ccco4)nc3n2)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.74
ADORA3 P0DMS8 3/20 0.74
ADORA1 P30542 3/20 0.74
ADORA2B P29275 2/20 0.74
ALDH1A1 P00352 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
MAPK1 P28482 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
TMEM97 Q5BJF2 1/20 0.74
HSD17B10 Q99714 1/20 0.74
HDAC1 Q13547 11/20 0.68
HDAC6 Q9UBN7 9/20 0.68

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
SCHEMBL29853732 0.91 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9328197 0.90 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9326818 0.90 ADORA2A (0.83) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL23928202 0.89 ADORA2A (0.85) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9328652 0.88 ADORA2A (0.68) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL30153479 0.87 ADORA2A (0.64) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL23828893 0.86 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL29853807 0.85 ADORA2A (0.73) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL23581271 0.85 ADORA2A (0.72) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL29837353 0.85 ADORA2A (0.72) ADORA2AADORA3ADORA1ADORA2BALDH1A1

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.