SCHEMBL20436702

SCHEMBL20436702

CC1CCN([C@H](C)c2cccc(Cn3cc(-c4cc(N)nc(-c5cccc(C#N)c5)c4)nn3)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ ADORA2B P29275 8/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ADORA2A P29274 3/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32

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
SCHEMBL20436698 0.92 KLKB1 (0.38) LRRK2KLKB1ADORA2BCYP19A1HDAC2
SCHEMBL20436700 0.92 KLKB1 (0.38) LRRK2KLKB1ADORA2BCYP19A1HDAC2
SCHEMBL20416801 0.91 PDE4D (0.40) KLKB1ADORA2BCYP19A1HDAC2HDAC8
SCHEMBL20401285 0.91 PDE4D (0.40) KLKB1ADORA2BCYP19A1HDAC2HDAC8
SCHEMBL20401282 0.91 PDE4D (0.40) KLKB1ADORA2BCYP19A1HDAC2HDAC8
SCHEMBL30401171 0.91 PDE4D (0.40) KLKB1ADORA2BCYP19A1HDAC2HDAC8
SCHEMBL20417084 0.89 KLKB1 (0.39) KLKB1HDAC2HDAC8HDAC6ADORA2A
SCHEMBL20436696 0.86 KLKB1 (0.41) KLKB1ADORA2BCYP19A1HDAC2HDAC8
SCHEMBL23675863 0.86 ADORA2A (0.42) LRRK2ADORA2BADORA2AADORA1
SCHEMBL20417073 0.83 KLKB1 (0.39) KLKB1ADORA2BCYP19A1HDAC2HDAC8

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 LRRK2 2878/4885KLKB1 1782/4885ADORA2B 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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