SCHEMBL19030307

SCHEMBL19030307

CC1CNc2cc([N+](=O)[O-])c(N3CCOCC3)cc2O1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ LMNA P02545 4/20 0.52
▸ HTT P42858 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ CYP2C9 P11712 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ AKR1B1 P15121 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL19030649 0.81 MAPT (0.55) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL19030685 0.81 MAPT (0.50) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL19030093 0.80 IRAK4 (0.47) MAPTALDH1A1LMNANPSR1GAA
SCHEMBL19030365 0.79 MAPT (0.50) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL19030581 0.78 MAPT (0.51) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL19030481 0.78 AKR1B1 (0.47) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL19030393 0.77 MAPT (0.51) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL19045409 0.73 MAPT (0.54) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL19030441 0.73 AKR1B1 (0.49) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL19029979 0.73 AKR1B1 (0.52) MAPTALDH1A1LMNAHTTNPSR1

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 1146/4885LMNA 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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