SCHEMBL20416723

SCHEMBL20416723

CCc1cccc(Cn2cc(-c3cc(N)nc(-c4cccc(C#N)c4)c3)nn2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.43
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ADORA2B P29275 9/20 0.41
▸ ADORA2A P29274 5/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ XDH P47989 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ KDR P35968 1/20 0.36
▸ TEK Q02763 1/20 0.36

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
SCHEMBL20417082 0.93 CTSS (0.50) CYP19A1CTSSCTSKHDAC2HDAC8
SCHEMBL20436712 0.92 ADORA2B (0.45) CYP19A1CTSSCTSKHDAC2HDAC8
SCHEMBL30401212 0.90 CYP19A1 (0.41) CYP19A1CTSSCTSKHDAC2HDAC8
SCHEMBL20416734 0.90 CYP19A1 (0.41) CYP19A1CTSSCTSKHDAC2HDAC8
SCHEMBL20436696 0.88 KLKB1 (0.41) CYP19A1CTSSCTSKHDAC2HDAC8
SCHEMBL20416666 0.87 ADORA2A (0.54) ADORA2BADORA2AADORA1
SCHEMBL20436714 0.86 ADORA2A (0.45) CYP19A1CTSSCTSKADORA2BADORA2A
SCHEMBL20417073 0.85 KLKB1 (0.39) CYP19A1CTSSCTSKHDAC2HDAC8
SCHEMBL30401933 0.85 KLKB1 (0.39) CYP19A1CTSSCTSKHDAC2HDAC8
SCHEMBL20417081 0.84 CYP19A1 (0.39) CYP19A1CTSSCTSKHDAC2HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4310082-A2 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS Arcus Biosciences, Inc. (US) 2024-01-24 — — EP disclosed
EP-3570844-B1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES INC (US) 2023-09-06 — — EP disclosed
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2018-08-02 — — US disclosed
WO-2018136700-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. (US) 2018-07-26 — — WO 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 CYP19A1 1735/4885CTSS 4665/4885CTSK 4233/4885

“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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