SCHEMBL19030110

SCHEMBL19030110

O=[N+]([O-])c1cc2c(cc1N1CCOCC1)OC1(C2)CN(CC(F)F)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.50
▸ MAPT P10636 13/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL19030453 0.87 IRAK4 (0.40) IRAK4MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL19030853 0.83 IRAK4 (0.46) IRAK4MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL19030283 0.82 IRAK4 (0.51) IRAK4ALDH1A1LMNAKDM4E
SCHEMBL19030210 0.82 MAPT (0.48) IRAK4MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL19030660 0.81 IRAK4 (0.48) IRAK4MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL19030559 0.79 IRAK4 (0.46) IRAK4MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL19030575 0.78 IRAK4 (0.51) IRAK4MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL19030014 0.78 IRAK4 (0.48) IRAK4MAPTALDH1A1CYP1A2CYP2D6
SCHEMBL19030539 0.78 IRAK4 (0.48) IRAK4MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL19030598 0.78 MAPT (0.47) IRAK4MAPTALDH1A1CYP1A2CYP3A4

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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