SCHEMBL19030728

SCHEMBL19030728

CC1(C)Cc2cc([N+](=O)[O-])c(N3CCC4(CC3)CN(C(=O)O)C4)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 14/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GPR174 Q9BXC1 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
SCHEMBL20594582 0.89 MAPT (0.44) IRAK4MAPTALDH1A1LMNAGAA
SCHEMBL19030855 0.88 MAPT (0.42) IRAK4MAPTALDH1A1LMNAMAPK1
SCHEMBL19030367 0.85 MAPT (0.46) IRAK4MAPTALDH1A1LMNAGAA
SCHEMBL19030575 0.83 IRAK4 (0.51) IRAK4MAPTALDH1A1LMNAGAA
SCHEMBL19030571 0.83 IRAK4 (0.38) IRAK4MAPTALDH1A1FFAR4LMNA
SCHEMBL19046011 0.81 ALDH1A1 (0.49) MAPTALDH1A1LMNAGAAMAPK1
Trifluoroacetic Acid SCHEMBL19030935 0.80 IRAK4 (0.46) IRAK4FFAR4LMNAGAA
SCHEMBL19030095 0.79 IRAK4 (0.49) IRAK4MAPTALDH1A1LMNAGAA
SCHEMBL19030127 0.79 IRAK4 (0.49) IRAK4LMNAGAA
SCHEMBL19030431 0.79 IRAK4 (0.50) IRAK4MAPTALDH1A1LMNAGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-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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