SCHEMBL19030284

SCHEMBL19030284

CC1(C)Cc2cc([N+](=O)[O-])c(O[C@@H]3CCN(CC(N)=O)C3)cc2O1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 11/20 0.55
▸ ESR1 P03372 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32

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
SCHEMBL19030287 1.00 IRAK4 (0.55) IRAK4ESR1MEN1KMT2AOPRM1
SCHEMBL19030548 0.86 IRAK4 (0.58) IRAK4ESR1
SCHEMBL19030549 0.86 IRAK4 (0.58) IRAK4ESR1
SCHEMBL19030657 0.83 IRAK4 (0.38) IRAK4MEN1KMT2AALKALDH1A1
SCHEMBL19030656 0.83 IRAK4 (0.38) IRAK4MEN1KMT2AALKALDH1A1
SCHEMBL20594507 0.80 IRAK4 (0.39) IRAK4MEN1KMT2A
SCHEMBL28668729 0.79 PDE4B (0.39) IRAK4ALDH1A1LMNA
SCHEMBL19046170 0.79 PDE4B (0.39) IRAK4ALDH1A1LMNA
SCHEMBL19030546 0.77 IRAK4 (0.46) IRAK4MEN1KMT2AALK
SCHEMBL28407817 0.74 IRAK4 (0.36) IRAK4MEN1KMT2AALDH1A1LMNA

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 8 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
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
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 2/4885ESR1 2685/4885MEN1 3879/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 IRAK4 2/4885ESR1 3566/4885MEN1 3780/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 IRAK4 2/4885ESR1 2685/4885MEN1 3879/4885

“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.

Send feedback