SCHEMBL19046170

SCHEMBL19046170

CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc3c(cc2[N+](=O)[O-])CC(C)(C)O3)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PIK3CD O00329 5/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ PDE4A P27815 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ IRAK4 Q9NWZ3 3/20 0.36
▸ USP30 Q70CQ3 1/20 0.35

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
SCHEMBL28668729 1.00 PDE4B (0.39) PDE4BALDH1A1LMNAMAPTPIK3CD
SCHEMBL19030656 0.88 IRAK4 (0.38) ALDH1A1LMNAIRAK4
SCHEMBL19030657 0.88 IRAK4 (0.38) ALDH1A1LMNAIRAK4
SCHEMBL20595499 0.83 ALDH1A1 (0.36) PDE4BALDH1A1LMNAMAPTGPR119
SCHEMBL20595500 0.83 ALDH1A1 (0.36) PDE4BALDH1A1LMNAMAPTGPR119
SCHEMBL19030287 0.79 IRAK4 (0.55) ALDH1A1LMNAIRAK4
SCHEMBL19030284 0.79 IRAK4 (0.55) ALDH1A1LMNAIRAK4
SCHEMBL20594509 0.79 MAPT (0.52) ALDH1A1LMNAMAPTIRAK4
SCHEMBL19030546 0.77 IRAK4 (0.46) MAPTIRAK4
SCHEMBL28663614 0.77 F2RL3 (0.38) ALDH1A1LMNAGPR119IRAK4

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 4 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
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — 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 (2 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 PDE4B 407/4885ALDH1A1 1115/4885LMNA 3773/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 PDE4B 550/4885ALDH1A1 1146/4885LMNA 3215/4885

“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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