SCHEMBL19030461

SCHEMBL19030461

CC1(C)C(=O)c2cc([N+](=O)[O-])c(N3CCOCC3)cc2S1(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.49
▸ LMNA P02545 4/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ HTT P42858 3/20 0.49
▸ ALDH1A1 P00352 9/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ AKR1B1 P15121 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HPGD P15428 1/20 0.42

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
SCHEMBL19030679 0.79 MAPT (0.47) MAPTLMNAL3MBTL1HTTALDH1A1
SCHEMBL19030012 0.79 MAPT (0.52) MAPTLMNAL3MBTL1HTTALDH1A1
SCHEMBL19030029 0.78 MAPT (0.49) MAPTLMNAL3MBTL1HTTALDH1A1
SCHEMBL19030706 0.76 MAPT (0.47) MAPTLMNAL3MBTL1HTTALDH1A1
SCHEMBL19030663 0.75 MAPT (0.50) MAPTLMNAL3MBTL1HTTALDH1A1
SCHEMBL19045772 0.74 MAPT (0.45) MAPTLMNAL3MBTL1HTTALDH1A1
SCHEMBL29935163 0.74 IRAK4 (0.48) MAPTLMNAL3MBTL1HTTALDH1A1
SCHEMBL19030243 0.74 IRAK4 (0.48) MAPTLMNAL3MBTL1HTTALDH1A1
SCHEMBL19030504 0.73 AKR1B1 (0.47) MAPTLMNAL3MBTL1HTTALDH1A1
SCHEMBL11609787 0.70 MAPT (0.60) MAPTLMNAL3MBTL1HTTALDH1A1

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 7 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
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 1916/4885LMNA 3215/4885L3MBTL1 2858/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 MAPT 2319/4885LMNA 3773/4885L3MBTL1 3568/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 MAPT 1916/4885LMNA 3215/4885L3MBTL1 2858/4885

“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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