SCHEMBL19030855

SCHEMBL19030855

CC(C)(C)OC(=O)N1CC2(CCN(c3cc4c(cc3[N+](=O)[O-])CC(C)(C)O4)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GPR183 P32249 1/20 0.42
▸ SCD5 Q86SK9 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ IRAK4 Q9NWZ3 8/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GPR174 Q9BXC1 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ LIN28A Q9H9Z2 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
SCHEMBL20594509 0.90 MAPT (0.52) MAPTLMNAALDH1A1IRAK4KCNH2
SCHEMBL19030728 0.88 IRAK4 (0.39) MAPTLMNAALDH1A1IRAK4MAPK1
SCHEMBL19030463 0.87 MAPT (0.48) MAPTLMNAALDH1A1IRAK4KCNH2
SCHEMBL23277908 0.83 IRAK4 (0.46) IRAK4
SCHEMBL19045420 0.82 GPR183 (0.41) GPR183SCD5CYP11B2IRAK4ACACB
SCHEMBL19045415 0.80 GPR183 (0.45) MAPTLMNAALDH1A1GPR183SCD5
SCHEMBL19030575 0.79 IRAK4 (0.51) MAPTLMNAALDH1A1IRAK4GPR174
SCHEMBL19030571 0.79 IRAK4 (0.38) MAPTLMNAALDH1A1IRAK4
SCHEMBL20594582 0.79 MAPT (0.44) MAPTLMNAALDH1A1IRAK4MAPK1
SCHEMBL19030600 0.79 IRAK4 (0.39) MAPTLMNAALDH1A1IRAK4GPR174

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 5 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
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
EP-3394066-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-10-31 — — EP disclosed
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2018-10-18 — — 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 (3 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-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 MAPT 1916/4885LMNA 3215/4885ALDH1A1 1146/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 MAPT 2319/4885LMNA 3773/4885ALDH1A1 1115/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 MAPT 1916/4885LMNA 3215/4885ALDH1A1 1146/4885

“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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