SCHEMBL19030117

SCHEMBL19030117

CC1(C)Cc2cc([N+](=O)[O-])c(OC3CCNC3)cc2O1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ BCL6 P41182 2/20 0.33
▸ BCOR Q6W2J9 2/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ HTR2C P28335 6/20 0.32
▸ HTR2B P41595 6/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ MAP2K1 Q02750 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ TLR3 O15455 1/20 0.31
▸ BCL9 O00512 1/20 0.31
▸ CTNNB1 P35222 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
SCHEMBL19030116 1.00 IRAK4 (0.34) IRAK4MEN1KMT2ABCL6BCOR
SCHEMBL19030546 0.82 IRAK4 (0.46) IRAK4MEN1KMT2ABCL6BCOR
SCHEMBL28655849 0.79 BCL6 (0.34) IRAK4MEN1KMT2ABCL6BCOR
SCHEMBL19030139 0.77 SIRT6 (0.40) IRAK4MEN1KMT2A
SCHEMBL19030656 0.76 IRAK4 (0.38) IRAK4MEN1KMT2AALK
SCHEMBL19030657 0.76 IRAK4 (0.38) IRAK4MEN1KMT2AALK
SCHEMBL20594328 0.76 IRAK4 (0.34) IRAK4MEN1KMT2ATLR3
SCHEMBL19030181 0.74 IRAK4 (0.37) IRAK4MEN1KMT2ABCL6BCOR
SCHEMBL19030287 0.74 IRAK4 (0.55) IRAK4MEN1KMT2AALK
SCHEMBL19030284 0.74 IRAK4 (0.55) IRAK4MEN1KMT2AALK

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
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 — — CN 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 2/4885MEN1 3879/4885KMT2A 1557/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 IRAK4 2/4885MEN1 3780/4885KMT2A 1960/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 IRAK4 2/4885MEN1 3879/4885KMT2A 1557/4885

“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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