SCHEMBL9329196

SCHEMBL9329196

CC(C)Nc1nc(N)n2nc(-c3ccco3)nc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 1.00
ADORA3 P0DMS8 12/20 1.00
ADORA1 P30542 11/20 1.00
ADORA2B P29275 6/20 0.65
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56

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
SCHEMBL9327075 0.90 ADORA2A (0.81) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9327084 0.90 ADORA2A (0.81) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL21937216 0.86 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9327262 0.85 ADORA2A (0.73) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL24901914 0.83 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9325869 0.83 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL23291388 0.83 ADORA2A (0.75) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL23606734 0.82 ADORA2A (0.69) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL23606735 0.82 ADORA2A (0.69) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9327307 0.81 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 4 patents. 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
US-5356894-A Adenosine antagonists SYNGENTA LIMITED (GB) 1994-10-18 US disclosed
US-5270311-A [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
EP-0459702-A1 Azole Derivatives ZENECA LIMITED (GB) 1991-12-04 EP 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.