SCHEMBL19030571

SCHEMBL19030571

CC1(C)Cc2cc([N+](=O)[O-])c(N3CCC4(CC3)CNC4)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 11/20 0.38
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA7 P43166 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ GAA P10253 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL19030512 0.86 MAPT (0.49) IRAK4GAAMAPTALDH1A1CYP1A2
SCHEMBL19046011 0.85 ALDH1A1 (0.49) GAAMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL19030728 0.83 IRAK4 (0.39) IRAK4GAAFFAR4MAPTALDH1A1
SCHEMBL19030431 0.82 IRAK4 (0.50) IRAK4GAAMAPTALDH1A1CYP1A2
SCHEMBL19045984 0.82 MAPT (0.51) IRAK4GAAMAPTALDH1A1CYP1A2
SCHEMBL19030575 0.81 IRAK4 (0.51) IRAK4GAAMAPTALDH1A1CYP1A2
SCHEMBL19045344 0.81 IRAK4 (0.38) IRAK4GAAMAPTALDH1A1CYP1A2
SCHEMBL19030837 0.81 IRAK4 (0.44) IRAK4GAAMAPTALDH1A1CYP1A2
SCHEMBL19030095 0.81 IRAK4 (0.49) IRAK4GAAMAPTALDH1A1CYP1A2
SCHEMBL20594582 0.80 MAPT (0.44) IRAK4GAAMAPTALDH1A1SMN1; 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 5 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

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 2/4885CA1 4860/4885CA2 4811/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 IRAK4 2/4885CA1 4772/4885CA2 4667/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 IRAK4 2/4885CA1 4860/4885CA2 4811/4885

“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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