SCHEMBL20436697

SCHEMBL20436697

N#Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCCCC5)n4)nn3)cc(N)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ KLKB1 P03952 1/20 0.36
▸ ADORA2B P29275 4/20 0.36
▸ ADORA1 P30542 3/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ ADORA2A P29274 4/20 0.35
▸ XDH P47989 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL20417081 0.99 CYP19A1 (0.39) LRRK2CYP19A1HDAC2HDAC8HDAC6
SCHEMBL20436556 0.89 ADORA2A (0.46) LRRK2ADORA2BADORA1ADORA2AUSP2
SCHEMBL20416648 0.88 ADORA2A (0.46) LRRK2ADORA2BADORA1ADORA2AUSP2
SCHEMBL20401302 0.87 PDE4D (0.47) CYP19A1HDAC2HDAC8HDAC6KLKB1
SCHEMBL20436555 0.86 ADORA2A (0.46) LRRK2ADORA2BADORA1ADORA2A
SCHEMBL30401312 0.84 NOTUM (0.44) LRRK2CYP19A1HDAC2HDAC8HDAC6
SCHEMBL20416863 0.84 NOTUM (0.44) LRRK2CYP19A1HDAC2HDAC8HDAC6
SCHEMBL20436698 0.84 KLKB1 (0.38) LRRK2CYP19A1HDAC2HDAC8HDAC6
SCHEMBL20436700 0.84 KLKB1 (0.38) LRRK2CYP19A1HDAC2HDAC8HDAC6
SCHEMBL20416723 0.84 CYP19A1 (0.43) CYP19A1HDAC2HDAC8HDAC6KLKB1

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 2878/4885CYP19A1 1735/4885HDAC2 2394/4885

“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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