SCHEMBL29944253

SCHEMBL29944253

N#Cc1cccc(-c2nc(N)nc3c2cnn3Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.61
ADORA1 P30542 15/20 0.61
ADORA3 P0DMS8 2/20 0.44
ADORA2B P29275 2/20 0.44
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC1 Q13547 1/20 0.41
HSP90AA1 P07900 1/20 0.39
TRAP1 Q12931 1/20 0.39

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
SCHEMBL23388427 1.00 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2BKCNJ1
SCHEMBL29616988 0.90 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL29944508 0.90 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL23388289 0.90 ADORA2A (0.60) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL29616971 0.88 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL23388364 0.88 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL23388316 0.87 ADORA2A (0.49) ADORA2AADORA1HSP90AA1TRAP1
SCHEMBL23388311 0.87 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2BHDAC1
SCHEMBL29616977 0.87 ADORA2A (0.49) ADORA2AADORA1HSP90AA1TRAP1
SCHEMBL29616990 0.87 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2BHDAC1

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
CN-116425756-B Adenosine receptor antagonist compounds and uses thereof 日东制药株式会社 2025-05-13 CN disclosed
CN-114829363-B Adenosine receptor antagonist compounds 日东制药株式会社 2024-10-01 CN disclosed
US-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-25 US disclosed
EP-4061817-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS Ildong Pharmaceutical Co., Ltd. (KR) 2022-09-28 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-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 3/4885

“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.