SCHEMBL23355643

SCHEMBL23355643

Cc1ccc(-c2nc(N)nc(Cl)c2I)o1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.45
ADORA1 P30542 3/20 0.40
HDAC1 Q13547 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
SCHEMBL21814372 0.85 ADORA2A (0.48) ADORA2AADORA1HDAC1
SCHEMBL21583441 0.81 ADORA2A (0.45) ADORA2AADORA1HDAC1
SCHEMBL29502734 0.81 ADORA2A (0.45) ADORA2AADORA1HDAC1
SCHEMBL4045282 0.77 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL23355745 0.73 ADORA2A (0.53) ADORA2AADORA1
SCHEMBL4048966 0.69 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL23355623 0.69 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL10564429 0.68 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL930783 0.68 KDM4E (0.49) ADORA2AADORA1
SCHEMBL30738272 0.68 ADORA2A (0.42) ADORA2AADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 EP disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN 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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885HDAC1 2376/4885

“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.