SCHEMBL20436729

SCHEMBL20436729

COC[C@@H](Nc1cc(-c2cn(Cc3cccc(N4CCCC4)n3)nn2)cc(-c2cccc(C#N)c2)n1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CSNK1A1 P48729 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ PRKX P51817 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ MELK Q14680 1/20 0.34
▸ MINK1 Q8N4C8 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
SCHEMBL20416733 1.00 CYP19A1 (0.35) CYP19A1MAPTPDE10ACDC7DAPK3
SCHEMBL20436706 1.00 CYP19A1 (0.35) CYP19A1MAPTPDE10ACDC7DAPK3
SCHEMBL20416679 0.91 MAPT (0.35) CYP19A1MAPTPDE10ACDC7DAPK3
SCHEMBL20436664 0.91 MAPT (0.35) CYP19A1MAPTPDE10ACDC7DAPK3
SCHEMBL20436665 0.91 MAPT (0.35) CYP19A1MAPTPDE10ACDC7DAPK3
SCHEMBL20421940 0.89 PDE4D (0.38) CYP19A1CDC7DAPK3ROCK2PAK4
SCHEMBL30402206 0.89 PDE4D (0.38) CYP19A1CDC7DAPK3ROCK2PAK4
SCHEMBL30401943 0.89 PDE4D (0.38) CYP19A1CDC7DAPK3ROCK2PAK4
SCHEMBL20421941 0.89 PDE4D (0.38) CYP19A1CDC7DAPK3ROCK2PAK4
SCHEMBL20416732 0.89 PDE4D (0.38) CYP19A1CDC7DAPK3ROCK2PAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3570844-B1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES INC (US) 2023-09-06 — — EP disclosed
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 CYP19A1 1735/4885MAPT 4240/4885PDE10A 1751/4885

“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.

Send feedback