SCHEMBL20436685

SCHEMBL20436685

CC(C)C(C)c1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(NC(=O)COc4ccccc4)n3)nn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.39
▸ DAPK3 O43293 3/20 0.39
▸ ROCK2 O75116 3/20 0.39
▸ PAK4 O96013 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ FLT3 P36888 3/20 0.39
▸ CSNK1A1 P48729 3/20 0.39
▸ CLK2 P49760 3/20 0.39
▸ CDK7 P50613 3/20 0.39
▸ CDK9 P50750 3/20 0.39
▸ PRKX P51817 3/20 0.39
▸ CDK5 Q00535 3/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ MELK Q14680 3/20 0.39
▸ HIPK2 Q9H2X6 3/20 0.39
▸ STK17A Q9UEE5 3/20 0.39
▸ MAP4K5 Q9Y4K4 3/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ MINK1 Q8N4C8 2/20 0.39

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
SCHEMBL20436681 0.95 CDC7 (0.40) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20436683 0.94 CDC7 (0.39) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20416698 0.93 CDC7 (0.38) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL30401921 0.93 CDC7 (0.38) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20436691 0.93 CDC7 (0.39) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL30400816 0.93 CDC7 (0.39) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20400630 0.93 CDC7 (0.39) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20436684 0.93 CDC7 (0.39) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20436688 0.92 CPT2 (0.39) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL30401185 0.90 CDC7 (0.38) CDC7DAPK3ROCK2PAK4CDK2

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 CDC7 780/4885DAPK3 1495/4885ROCK2 3684/4885

“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