SCHEMBL20595501

SCHEMBL20595501

CC1(C)Cc2cc([N+](=O)[O-])c(OC3CN(C(=O)O)C(C(C)(C)C)C3N)cc2O1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 6/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL21852672 0.80 IRAK4 (0.32) IRAK4ALDH1A1TDP1
SCHEMBL20595500 0.79 ALDH1A1 (0.36) IRAK4ALDH1A1MEN1KMT2A
SCHEMBL20595499 0.79 ALDH1A1 (0.36) IRAK4ALDH1A1MEN1KMT2A
SCHEMBL20594485 0.76 NAAA (0.33) IRAK4ALDH1A1
SCHEMBL19030656 0.74 IRAK4 (0.38) IRAK4ALDH1A1MEN1KMT2A
SCHEMBL19030657 0.74 IRAK4 (0.38) IRAK4ALDH1A1MEN1KMT2A
SCHEMBL20594507 0.72 IRAK4 (0.39) IRAK4MEN1KMT2A
SCHEMBL20594328 0.72 IRAK4 (0.34) IRAK4MEN1KMT2A
SCHEMBL19046170 0.71 PDE4B (0.39) IRAK4ALDH1A1
SCHEMBL28668729 0.71 PDE4B (0.39) IRAK4ALDH1A1

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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 — — US disclosed
EP-3642204-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 — — EP disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 — — US disclosed
WO-2018234345-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-27 — — 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885KDM4E 379/4885ALDH1A1 1232/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885KDM4E 379/4885ALDH1A1 1232/4885

“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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