SCHEMBL17678136

SCHEMBL17678136

Cc1nn(CCCN2CCCC2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.35
KMO O15229 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
NR3C1 P04150 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
QPCT Q16769 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
GLS O94925 1/20 0.32
LPL P06858 6/20 0.32
LIPG Q9Y5X9 6/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
GSK3B P49841 1/20 0.31
KCNH2 Q12809 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 0.93 IRAK4 (0.36) IRAK4KMOADORA2AADORA2BQPCT
SCHEMBL21026080 0.92 NR3C1 (0.36) IRAK4KMONR3C1QPCTHTT
SCHEMBL17674035 0.86 IRAK4 (0.36) IRAK4KMOADORA2AADORA2BNR3C1
SCHEMBL17678138 0.82 IRAK4 (0.36) IRAK4KMOADORA2AADORA2BNR3C1
SCHEMBL17678086 0.80 SIGMAR1 (0.37) IRAK4NR3C1PRKCGPRKCBPRKCA
SCHEMBL17678135 0.80 IRAK4 (0.38) IRAK4KMOADORA2AADORA2BPRMT5
SCHEMBL17678140 0.79 IRAK4 (0.47) IRAK4KMOLPLLIPG
SCHEMBL18731895 0.79 HRH1 (0.42) KMOADORA2AADORA2BHRH3GLS
SCHEMBL21026014 0.77 IRAK4 (0.38) IRAK4KMOADORA2AADORA2BPRMT5
SCHEMBL17678307 0.77 IRAK4 (0.40) IRAK4KCNH2

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 3 patents. 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
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO 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 3515/4885KMO 2987/4885ADORA2A 4712/4885

“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.