SCHEMBL20436653

SCHEMBL20436653

CCc1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(NCC(C)(C)O)n3)nn2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.46
▸ ADORA2B P29275 9/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ CYP19A1 P11511 1/20 0.38
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ IDH1 O75874 2/20 0.35
▸ IDH2 P48735 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ HDAC1 Q13547 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
SCHEMBL30401906 0.91 ADORA2B (0.42) ADORA2AADORA2BADORA1CYP19A1CTSS
SCHEMBL20400663 0.91 ADORA2B (0.42) ADORA2AADORA2BADORA1CYP19A1CTSS
SCHEMBL20436677 0.87 ADORA2A (0.45) ADORA2AADORA2BADORA1CYP19A1CTSS
SCHEMBL20436629 0.87 ADORA2A (0.42) ADORA2AADORA2BADORA1CYP19A1CTSS
SCHEMBL20436634 0.87 ADORA2A (0.41) ADORA2AADORA2BADORA1CYP19A1CTSS
SCHEMBL20436718 0.86 CDC7 (0.45) ADORA2AADORA2BADORA1CYP19A1CTSS
SCHEMBL30401170 0.86 ADORA2A (0.40) ADORA2AADORA2BADORA1CYP19A1CTSS
SCHEMBL20416746 0.86 ADORA2A (0.40) ADORA2AADORA2BADORA1CYP19A1CTSS
SCHEMBL20436635 0.86 ADORA2A (0.41) ADORA2AADORA2BADORA1CYP19A1CTSS
SCHEMBL20436651 0.85 VCP (0.40) ADORA2AADORA2BADORA1CYP19A1CTSS

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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