SCHEMBL20436647

SCHEMBL20436647

COC[C@H](C)Nc1nc(-c2cccc(C#N)c2)cc(-c2cn(Cc3cccc(C(C)(C)C)n3)nn2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.43
▸ ADORA2B P29275 8/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ CYP19A1 P11511 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL20436646 1.00 ADORA2A (0.43) ADORA2AADORA2BADORA1CYP19A1ALOX12
SCHEMBL20436666 0.91 ADORA2A (0.46) ADORA2AADORA2BADORA1CYP19A1HDAC2
SCHEMBL30402160 0.90 ADORA2B (0.41) ADORA2AADORA2BADORA1CYP19A1HDAC2
SCHEMBL20400848 0.90 ADORA2B (0.41) ADORA2AADORA2BADORA1CYP19A1HDAC2
SCHEMBL20416836 0.90 ADORA2B (0.41) ADORA2AADORA2BADORA1CYP19A1HDAC2
SCHEMBL20400846 0.90 ADORA2B (0.41) ADORA2AADORA2BADORA1CYP19A1HDAC2
SCHEMBL20436645 0.88 ADORA2A (0.44) ADORA2AADORA2BADORA1CYP19A1ALOX12
SCHEMBL20416662 0.87 ADORA2A (0.45) ADORA2AADORA2BADORA1CYP19A1JAK3
SCHEMBL20421937 0.87 ADORA2A (0.45) ADORA2AADORA2BADORA1CYP19A1JAK3
SCHEMBL30401383 0.87 ADORA2A (0.45) ADORA2AADORA2BADORA1CYP19A1JAK3

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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