SCHEMBL5653328

SCHEMBL5653328

Nc1nc(N)n2ncnc2c1-c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.46
▸ ADORA1 P30542 13/20 0.46
▸ ADORA2B P29275 10/20 0.46
▸ ADORA3 P0DMS8 10/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ RCE1 Q9Y256 1/20 0.46
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BRCA1 P38398 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42

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
SCHEMBL5103140 0.78 KDM4E (0.51) ADORA2AADORA1ADORA2BADORA3KDM4E
SCHEMBL5653498 0.71 IRAK4 (0.37) ADORA2AADORA1ADORA2BADORA3MAPK1
SCHEMBL21731209 0.70 ADORA2A (0.51) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL6010018 0.67 ADORA2A (0.38) ADORA2AADORA1ADORA2BADORA3ALDH1A1
SCHEMBL23828527 0.67 ALDH1A1 (0.47) ADORA2AADORA1ADORA2BADORA3KDM4E
SCHEMBL29646392 0.64 PDE10A (0.52) ADORA2AADORA1ADORA2BADORA3KDM4E
SCHEMBL15263323 0.64 PDE10A (0.52) ADORA2AADORA1ADORA2BADORA3KDM4E
SCHEMBL19837985 0.63 ALDH1A1 (0.45) ADORA2AADORA1ADORA2BADORA3KDM4E
SCHEMBL7334935 0.62 KDM4E (0.40) ADORA2AADORA1ADORA2BADORA3KDM4E
SCHEMBL3548828 0.62 ADORA2A (0.68) ADORA2AADORA1ADORA2BADORA3KDM4E

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-20070010522-A1 Triazolo[1,5-c]pyrimidines and pyrazolo[1,5-c]pyrimidines useful as a2a adenosine receptor antagonists BIOGEN IDEC MA INC. 2007-01-11 — — 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-20070010522-A1 Triazolo[1,5-c]pyrimidines and pyrazolo[1,5-c]pyrimidines useful as a2a adenosine receptor antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA2B 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.

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