SCHEMBL20436661

SCHEMBL20436661

COCCNc1nc(-c2cccc(C#N)c2)cc(-c2cn(Cc3cccc(C(C)C)n3)nn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ PTGDR Q13258 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ADORA2A P29274 4/20 0.36
▸ ADORA2B P29275 4/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ DYRK1A Q13627 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL20416755 0.94 KDM4E (0.37) KDM4EPTGDRATMADORA2AADORA2B
SCHEMBL30401296 0.94 KDM4E (0.37) KDM4EPTGDRATMADORA2AADORA2B
SCHEMBL20436662 0.92 CYP19A1 (0.36) KDM4EPTGDRADORA2AADORA2BADORA1
SCHEMBL20436658 0.90 ADORA2A (0.40) PTGDRADORA2AADORA2BADORA1DYRK1A
SCHEMBL20436654 0.90 ADORA2A (0.39) PTGDRADORA2AADORA2BADORA1ALOX12
SCHEMBL30401371 0.90 PTGDR (0.38) KDM4EPTGDRADORA2AADORA2BADORA1
SCHEMBL20416870 0.90 PTGDR (0.38) KDM4EPTGDRADORA2AADORA2BADORA1
SCHEMBL20416991 0.89 ADORA2B (0.43) PTGDRADORA2AADORA2BADORA1CLK4
SCHEMBL20436645 0.87 ADORA2A (0.44) KDM4EPTGDRADORA2AADORA2BADORA1
SCHEMBL20400745 0.86 HTR7 (0.36) KDM4EPTGDRADORA2AADORA2BADORA1

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 KDM4E 3131/4885PTGDR 121/4885ATM 406/4885

“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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