SCHEMBL20436375

SCHEMBL20436375

CC(=O)c1cccc(Cn2cc(C)cn2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
KLKB1 P03952 12/20 0.41
KLK1 P06870 2/20 0.41
TAS2R8 Q9NYW2 2/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
PLAA Q9Y263 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
NR1I2 O75469 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36

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
SCHEMBL2825716 0.85 KLKB1 (0.46) HDAC1HDAC2KLKB1IRAK4ALDH1A1
SCHEMBL20416533 0.85 HDAC1 (0.39) HDAC1HDAC2KLKB1TAS2R8IRAK4
SCHEMBL20401337 0.78 FFAR1 (0.51) HDAC1HDAC2KLKB1TAS2R8IRAK4
SCHEMBL2328430 0.71 IRAK4 (0.39) HDAC1HDAC2KLKB1IRAK4
SCHEMBL17820696 0.71 CXCR4 (0.47) ALDH1A1
SCHEMBL2328427 0.70 IRAK4 (0.39) IRAK4GRM2
SCHEMBL1054149 0.70 NPSR1 (0.44) IRAK4ALDH1A1CYP1A2
SCHEMBL30952862 0.70 NPSR1 (0.44) IRAK4ALDH1A1CYP1A2
SCHEMBL12432224 0.70 IRAK4 (0.49) IRAK4KCNH2ALDH1A1CYP1A2
SCHEMBL6938242 0.70 CREBBP (0.56) HDAC1TAS2R8ALDH1A1CYP1A2

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 HDAC1 3195/4885HDAC2 2394/4885KLKB1 1782/4885

“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.