SCHEMBL23675853

SCHEMBL23675853

C[C@H](CCCCC[C@@H](N)C(=O)O)c1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 17/20 0.43
▸ ADORA2B P29275 14/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ KLKB1 P03952 1/20 0.37
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL20442141 0.89 ADORA2A (0.44) ADORA2AADORA2BADORA1KLKB1
SCHEMBL23675861 0.89 ADORA2A (0.44) ADORA2AADORA2BADORA1KLKB1
SCHEMBL20416584 0.87 ADORA2A (0.46) ADORA2AADORA2BADORA1KLKB1
SCHEMBL30401852 0.87 ADORA2A (0.46) ADORA2AADORA2BADORA1KLKB1
SCHEMBL23675864 0.86 ADORA2A (0.43) ADORA2AADORA2BADORA1KLKB1
SCHEMBL20436436 0.84 ADORA2A (0.47) ADORA2AADORA2BADORA1
SCHEMBL20442138 0.84 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20442170 0.84 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL30401511 0.84 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20400627 0.84 ADORA2A (0.49) ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144808-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2022-05-12 — — US disclosed
US-11072597-B2 Azolopyrimidine for the treatment of cancer-related disorders ARCUS BIOSCIENCES, INC. 2021-07-27 — — 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 (2 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-20220144808-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA2B 2/4885ADORA1 3/4885
US-11072597-B2 Azolopyrimidine for the treatment of cancer-related disorders ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA2B 2/4885ADORA1 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.

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