SCHEMBL21026014

SCHEMBL21026014

Cc1nn(CC2CC2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.38
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
LPL P06858 5/20 0.33
LIPG Q9Y5X9 5/20 0.33
GRM4 Q14833 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
CSF1R P07333 1/20 0.32
KMO O15229 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ROCK1 Q13464 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BACE1 P56817 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL17678141 0.79 IRAK4 (0.36) IRAK4PRMT5WDR77LPLLIPG
SCHEMBL21025774 0.79 IRAK4 (0.40) IRAK4PRMT5WDR77LPLLIPG
SCHEMBL17678135 0.79 IRAK4 (0.38) IRAK4PRMT5WDR77LPLLIPG
SCHEMBL17674035 0.78 IRAK4 (0.36) IRAK4PRMT5WDR77ADORA2AADORA2B
SCHEMBL17678136 0.77 IRAK4 (0.35) IRAK4PRMT5WDR77LPLLIPG
SCHEMBL17678142 0.77 IRAK4 (0.38) IRAK4PRMT5WDR77LPLLIPG
SCHEMBL21026057 0.77 IRAK4 (0.51) IRAK4LPLLIPGROCK1
SCHEMBL17678138 0.77 IRAK4 (0.36) IRAK4PRMT5WDR77LPLLIPG
SCHEMBL11165 0.77 ADORA2A (0.46) IRAK4PRMT5WDR77LPLLIPG
SCHEMBL31651744 0.77 ADORA2A (0.46) IRAK4PRMT5WDR77LPLLIPG

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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 IRAK4 3515/4885PRMT5 3620/4885WDR77 1855/4885

“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.