SCHEMBL28663618

SCHEMBL28663618

CC(C)(C)OC(=O)N1CCCC1COc1cc2c(cc1[N+](=O)[O-])CC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2RL3 Q96RI0 4/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ ALOX5AP P20292 3/20 0.37
▸ OPRD1 P41143 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ KLK7 P49862 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
SCHEMBL28663614 1.00 F2RL3 (0.38) F2RL3IRAK4ALOX5APOPRD1FEN1
SCHEMBL20531357 0.89 IRAK4 (0.42) IRAK4MEN1KMT2ACHRNB4CHRNA3
SCHEMBL20531358 0.89 IRAK4 (0.42) IRAK4MEN1KMT2ACHRNB4CHRNA3
SCHEMBL28670059 0.86 ALOX5AP (0.41) F2RL3IRAK4ALOX5APOPRD1FEN1
SCHEMBL19046026 0.86 ALOX5AP (0.41) F2RL3IRAK4ALOX5APOPRD1FEN1
SCHEMBL29935102 0.86 ALOX5AP (0.41) F2RL3IRAK4ALOX5APOPRD1FEN1
SCHEMBL19046025 0.84 F2RL3 (0.39) F2RL3IRAK4ALOX5APOPRD1FEN1
SCHEMBL31615587 0.77 DPP4 (0.45) ALOX5APFEN1ALDH1A1KDM4ELMNA
SCHEMBL19046170 0.77 PDE4B (0.39) IRAK4ALDH1A1GPR119LMNA
SCHEMBL28668729 0.77 PDE4B (0.39) IRAK4ALDH1A1GPR119LMNA

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
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 — — US disclosed
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 — — CN 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-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 F2RL3 1048/4885IRAK4 2/4885ALOX5AP 2805/4885

“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.

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