SCHEMBL20594328

SCHEMBL20594328

CC1(C)Cc2cc([N+](=O)[O-])c(OC3CNCC3NC(=O)O)cc2O1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 10/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSPA1A P0DMV8 1/20 0.32
▸ TLR3 O15455 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
SCHEMBL20594507 0.81 IRAK4 (0.39) IRAK4MEN1KMT2A
SCHEMBL19030117 0.76 IRAK4 (0.34) IRAK4MEN1KMT2ATLR3
SCHEMBL19030116 0.76 IRAK4 (0.34) IRAK4MEN1KMT2ATLR3
SCHEMBL19030546 0.73 IRAK4 (0.46) IRAK4MEN1KMT2ATLR3
SCHEMBL19030139 0.73 SIRT6 (0.40) IRAK4MEN1KMT2A
SCHEMBL19030657 0.72 IRAK4 (0.38) IRAK4MEN1KMT2A
SCHEMBL19030656 0.72 IRAK4 (0.38) IRAK4MEN1KMT2A
SCHEMBL20595501 0.72 IRAK4 (0.32) IRAK4MEN1KMT2A
SCHEMBL20595500 0.70 ALDH1A1 (0.36) IRAK4MEN1KMT2A
SCHEMBL20595499 0.70 ALDH1A1 (0.36) IRAK4MEN1KMT2A

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 1/4885MEN1 3897/4885KMT2A 1877/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885MEN1 3897/4885KMT2A 1877/4885

“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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