SCHEMBL19029918

SCHEMBL19029918

CC1(C=O)Cc2cc([N+](=O)[O-])c(N3CCOCC3)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.46
▸ ALDH1A1 P00352 8/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 5/20 0.45
▸ HTT P42858 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AKR1B1 P15121 1/20 0.41
▸ HPGD P15428 1/20 0.40

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
SCHEMBL19030431 0.86 IRAK4 (0.50) MAPTALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL19030807 0.84 MAPT (0.43) MAPTALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL19030153 0.83 MAPT (0.46) MAPTALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL19030726 0.82 IRAK4 (0.46) MAPTALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL19030660 0.81 IRAK4 (0.48) MAPTALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL19030433 0.81 MAPT (0.49) MAPTALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL19030598 0.81 MAPT (0.47) MAPTALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL19030135 0.81 MAPT (0.47) MAPTALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL19029877 0.81 IRAK4 (0.48) MAPTALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL19030128 0.81 IRAK4 (0.52) —

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 8 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
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 1146/4885CYP2C9 3030/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 MAPT 2319/4885ALDH1A1 1115/4885CYP2C9 3095/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 MAPT 1916/4885ALDH1A1 1146/4885CYP2C9 3030/4885

“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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