SCHEMBL19030303

SCHEMBL19030303

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc([N+](=O)[O-])c(N3CCOCC3)cc1O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GPR119 Q8TDV5 3/20 0.40
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA7 P43166 5/20 0.40
▸ CA9 Q16790 5/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL19030530 0.88 GPR119 (0.43) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL20531379 0.86 MAPT (0.42) MAPTALDH1A1LMNASMN1; SMN2CA1
SCHEMBL23110722 0.85 MAPT (0.42) MAPTALDH1A1LMNASMN1; SMN2CA1
SCHEMBL19029978 0.85 GPR119 (0.44) SMN1; SMN2USP2GPR119HRH3IRAK4
SCHEMBL29935368 0.85 GPR119 (0.44) SMN1; SMN2USP2GPR119HRH3IRAK4
SCHEMBL23110785 0.85 GPR119 (0.42) MAPTALDH1A1LMNAGPR119CA1
SCHEMBL19030559 0.84 IRAK4 (0.46) MAPTALDH1A1LMNASMN1; SMN2CA1
SCHEMBL19030210 0.83 MAPT (0.48) MAPTALDH1A1LMNASMN1; SMN2CA1
SCHEMBL19045085 0.83 USP2 (0.40) SMN1; SMN2USP2GPR119HRH3IRAK4
SCHEMBL20594509 0.82 MAPT (0.52) MAPTALDH1A1LMNASMN1; SMN2CYP2C9

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 6 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
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 1916/4885ALDH1A1 1146/4885LMNA 3215/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 MAPT 2319/4885ALDH1A1 1115/4885LMNA 3773/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 MAPT 1916/4885ALDH1A1 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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