SCHEMBL20436667

SCHEMBL20436667

CC(C)(C)c1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(NC4CC4)n3)nn2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.45
▸ ADORA2B P29275 6/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ MAPK14 Q16539 2/20 0.36
▸ CDK1 P06493 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ IRAK4 Q9NWZ3 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
SCHEMBL20436669 0.92 ADORA2A (0.42) ADORA2AADORA2BADORA1HDAC6HDAC2
SCHEMBL20436668 0.92 ADORA2A (0.42) ADORA2AADORA2BADORA1HDAC6HDAC2
SCHEMBL20400773 0.89 ADORA2A (0.43) ADORA2AADORA2BADORA1HDAC6HDAC2
SCHEMBL20436631 0.89 ADORA2A (0.40) ADORA2AADORA2BADORA1HDAC6HDAC2
SCHEMBL20400921 0.87 ADORA2A (0.37) ADORA2AADORA2BADORA1HDAC6HDAC2
SCHEMBL30402199 0.87 ADORA2A (0.37) ADORA2AADORA2BADORA1HDAC6HDAC2
SCHEMBL20436666 0.87 ADORA2A (0.46) ADORA2AADORA2BADORA1HDAC6HDAC2
SCHEMBL20436656 0.86 CDK1 (0.43) ADORA2AADORA2BADORA1HDAC6HDAC2
SCHEMBL20436652 0.86 ADORA2A (0.39) ADORA2AADORA2BADORA1HDAC6HDAC2
SCHEMBL30401181 0.85 ADORA2A (0.60) 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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