SCHEMBL20436595

SCHEMBL20436595

N#Cc1cccc(-c2cc(-c3cn(Cc4ccccc4)nn3)nc(N)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.62
▸ CYP19A1 P11511 2/20 0.58
▸ ADORA2B P29275 9/20 0.50
▸ CDC7 O00311 3/20 0.47
▸ DAPK3 O43293 2/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ CDK5 Q00535 2/20 0.47
▸ DYRK1A Q13627 2/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ CDK7 P50613 1/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ PRKX P51817 1/20 0.47
▸ MELK Q14680 1/20 0.47
▸ MINK1 Q8N4C8 1/20 0.47

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
SCHEMBL20401354 0.92 ADORA2A (0.52) ADORA2ACYP19A1ADORA2BKDR
SCHEMBL30401330 0.92 ADORA2A (0.52) ADORA2ACYP19A1ADORA2BKDR
SCHEMBL20436604 0.90 ADORA2A (0.51) ADORA2ACYP19A1ADORA2BADORA1
SCHEMBL20436596 0.90 ADORA2A (0.54) ADORA2ACYP19A1ADORA2BROCK2GSK3B
SCHEMBL20436589 0.90 ADORA2A (0.51) ADORA2ACYP19A1ADORA2BADORA1
SCHEMBL20401295 0.89 TEK (0.51) ADORA2ACYP19A1ADORA2BCLK4MAPK1
SCHEMBL30402264 0.89 TEK (0.51) ADORA2ACYP19A1ADORA2BCLK4MAPK1
SCHEMBL20400588 0.89 UCHL5 (0.55) ADORA2ACYP19A1ADORA2BCDC7DAPK3
SCHEMBL30400781 0.89 UCHL5 (0.55) ADORA2ACYP19A1ADORA2BCDC7DAPK3
SCHEMBL20400757 0.89 ADORA2A (0.52) ADORA2ACYP19A1ADORA2BCDC7DAPK3

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 1/4885CYP19A1 1735/4885ADORA2B 2/4885

“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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