SCHEMBL20436386

SCHEMBL20436386

CCc1cccc(Cn2cc(-c3cc(-c4cccc(C(C)(C)O)c4)nc(N)n3)nn2)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 18/20 0.55
▸ ADORA2B P29275 14/20 0.55
▸ ADORA1 P30542 1/20 0.55
▸ GPR55 Q9Y2T6 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL20416663 0.90 ADORA2A (0.51) ADORA2AADORA2BADORA1GPR55MEN1
SCHEMBL30401205 0.90 ADORA2A (0.51) ADORA2AADORA2BADORA1GPR55MEN1
SCHEMBL20436391 0.89 GPR55 (0.51) ADORA2AADORA2BADORA1GPR55MEN1
SCHEMBL20436694 0.86 ADORA2A (0.50) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL20436398 0.85 ADORA2A (0.50) ADORA2AADORA2BADORA1
SCHEMBL20436404 0.85 ADORA2A (0.48) ADORA2AADORA2BADORA1
SCHEMBL20436400 0.84 ADORA2A (0.47) ADORA2AADORA2BADORA1
SCHEMBL20436401 0.84 ADORA2A (0.47) ADORA2AADORA2BADORA1
SCHEMBL20436399 0.83 ADORA2A (0.49) ADORA2AADORA2BADORA1GPR55
SCHEMBL20436415 0.82 ADORA2A (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2018-08-02 — — 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-20180215730-A1 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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