SCHEMBL20436698

SCHEMBL20436698

C[C@H](c1cccc(Cn2cc(-c3cc(N)nc(-c4cccc(C#N)c4)c3)nn2)n1)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ ADORA2B P29275 10/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ADORA2A P29274 4/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ XDH P47989 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL20436700 1.00 KLKB1 (0.38) KLKB1CYP19A1ADORA2BHDAC2HDAC8
SCHEMBL20436702 0.92 LRRK2 (0.37) KLKB1CYP19A1ADORA2BHDAC2HDAC8
SCHEMBL20436701 0.91 KLKB1 (0.37) KLKB1CYP19A1ADORA2BHDAC2HDAC8
SCHEMBL20436730 0.90 ADORA2A (0.45) ADORA2BADORA2AADORA1
SCHEMBL20436580 0.90 ADORA2A (0.45) ADORA2BADORA2AADORA1
SCHEMBL20416952 0.90 ADORA2A (0.45) ADORA2BADORA2AADORA1
SCHEMBL20436731 0.89 ADORA2A (0.45) ADORA2BADORA2AADORA1
SCHEMBL20436696 0.88 KLKB1 (0.41) KLKB1CYP19A1ADORA2BHDAC2HDAC8
SCHEMBL20401282 0.88 PDE4D (0.40) KLKB1CYP19A1ADORA2BHDAC2HDAC8
SCHEMBL30401171 0.88 PDE4D (0.40) KLKB1CYP19A1ADORA2BHDAC2HDAC8

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 KLKB1 1782/4885CYP19A1 1735/4885ADORA2B 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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