SCHEMBL20436640

SCHEMBL20436640

CC(C)Nc1nc(-c2cccc(C#N)c2)cc(-c2cn(Cc3cccc(N4CCC4)n3)nn2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.37
▸ ADORA2B P29275 4/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ IRAK4 Q9NWZ3 5/20 0.37
▸ LRRK2 Q5S007 3/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ SMG1 Q96Q15 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
SCHEMBL20416673 0.98 CNR1 (0.38) ADORA2AADORA2BADORA1IRAK4LRRK2
SCHEMBL20400822 0.88 ADORA2A (0.37) ADORA2AADORA2BADORA1IRAK4LRRK2
SCHEMBL20436732 0.88 HDAC2 (0.36) ADORA2AADORA2BADORA1LRRK2CNR1
SCHEMBL20436624 0.87 ADORA2A (0.41) ADORA2AADORA2BADORA1IRAK4CYP19A1
SCHEMBL20436555 0.87 ADORA2A (0.46) ADORA2AADORA2BADORA1LRRK2
SCHEMBL20416679 0.87 MAPT (0.35) ADORA2AADORA2BADORA1IRAK4LRRK2
SCHEMBL20436664 0.87 MAPT (0.35) ADORA2AADORA2BADORA1IRAK4LRRK2
SCHEMBL20436665 0.87 MAPT (0.35) ADORA2AADORA2BADORA1IRAK4LRRK2
SCHEMBL20417025 0.86 CNR1 (0.38) ADORA2AADORA2BADORA1LRRK2CNR1
SCHEMBL20416680 0.86 CNR1 (0.36) ADORA2AADORA2BADORA1LRRK2CNR1

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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