SCHEMBL20436732

SCHEMBL20436732

N#Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC5)n4)nn3)nc(NC3CC3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LRRK2 Q5S007 9/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ PRKD1 Q15139 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ MAP4K1 Q92918 2/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 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
SCHEMBL20417025 0.98 CNR1 (0.38) HDAC2HDAC8HDAC6LRRK2CNR1
SCHEMBL20436641 0.92 CCNA2 (0.36) LRRK2CNR1MAP4K1PRKCQ
SCHEMBL20436733 0.92 CCNA2 (0.36) LRRK2CNR1MAP4K1PRKCQ
SCHEMBL20417003 0.90 CCNA2 (0.36) LRRK2CNR1MAP4K1PRKCQ
SCHEMBL26217266 0.90 CCNA2 (0.36) LRRK2CNR1MAP4K1PRKCQ
SCHEMBL20436640 0.88 ADORA2A (0.37) HDAC2HDAC8HDAC6LRRK2CNR1
SCHEMBL20417139 0.88 PDE4A (0.36) HDAC2HDAC8HDAC6LRRK2MAPK14
SCHEMBL20436631 0.87 ADORA2A (0.40) HDAC2HDAC8HDAC6MAPK14ADORA2A
SCHEMBL20436555 0.87 ADORA2A (0.46) LRRK2ADORA2AADORA2BADORA1
SCHEMBL20416673 0.86 CNR1 (0.38) HDAC2HDAC8HDAC6LRRK2CNR1

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 HDAC2 2394/4885HDAC8 1885/4885HDAC6 3173/4885

“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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