SCHEMBL20436613

SCHEMBL20436613

CC(=O)COc1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 0.47
▸ ADORA2B P29275 12/20 0.45
▸ KLKB1 P03952 1/20 0.43
▸ CD74 P04233 1/20 0.43
▸ MIF P14174 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ PRKX P51817 1/20 0.41
▸ CDK5 Q00535 1/20 0.41

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
SCHEMBL20400183 0.93 ADORA2A (0.52) ADORA2AADORA2BKLKB1CD74MIF
SCHEMBL29653564 0.92 ADORA2A (0.55) ADORA2AADORA2BKLKB1CD74MIF
SCHEMBL20416884 0.92 ADORA2A (0.55) ADORA2AADORA2BKLKB1CD74MIF
SCHEMBL20400756 0.90 ADORA2A (0.48) ADORA2AADORA2BKLKB1CD74MIF
SCHEMBL20416992 0.87 ADORA2A (0.45) ADORA2AADORA2BKLKB1CD74MIF
SCHEMBL27029403 0.86 ADORA2A (0.47) ADORA2AADORA2BKLKB1CD74MIF
SCHEMBL20400757 0.83 ADORA2A (0.52) ADORA2AADORA2BKLKB1CDC7DAPK3
SCHEMBL20400588 0.83 UCHL5 (0.55) ADORA2AADORA2BKLKB1CD74MIF
SCHEMBL30400781 0.83 UCHL5 (0.55) ADORA2AADORA2BKLKB1CD74MIF
SCHEMBL20436604 0.82 ADORA2A (0.51) ADORA2AADORA2BKLKB1

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 2/4885KLKB1 1782/4885

“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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