SCHEMBL19030853

SCHEMBL19030853

CN1CC2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3O2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ MAPT P10636 15/20 0.46
▸ ALDH1A1 P00352 9/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ LMNA P02545 5/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 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
SCHEMBL19030539 0.92 IRAK4 (0.48) IRAK4MAPTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL19030559 0.91 IRAK4 (0.46) IRAK4MAPTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL19030210 0.87 MAPT (0.48) IRAK4MAPTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL19030796 0.84 MAPT (0.45) IRAK4MAPTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL19030431 0.83 IRAK4 (0.50) IRAK4MAPTALDH1A1CYP2C9CYP1A2
SCHEMBL28655900 0.83 IRAK4 (0.47) IRAK4MAPTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL19030487 0.83 MAPT (0.40) MAPTALDH1A1CYP2C9SMN1; SMN2CYP1A2
SCHEMBL19030110 0.83 IRAK4 (0.50) IRAK4MAPTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL19030207 0.81 IRAK4 (0.51) IRAK4MAPTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL20531379 0.81 MAPT (0.42) IRAK4MAPTALDH1A1CYP2C9SMN1; SMN2

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 IRAK4 2/4885MAPT 1916/4885ALDH1A1 1146/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 IRAK4 2/4885MAPT 2319/4885ALDH1A1 1115/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 IRAK4 2/4885MAPT 1916/4885ALDH1A1 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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