SCHEMBL21326643

SCHEMBL21326643

CC(C)(O)C1(C)Cc2cc(N)c(N3CCOCC3)nc2O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 7/20 0.52
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MTOR P42345 3/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ MAP3K9 P80192 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ TTBK1 Q5TCY1 1/20 0.34

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
SCHEMBL21326611 0.84 IRAK4 (0.46) IRAK4KDM4EALDH1A1HPGDMAPK1
SCHEMBL21326717 0.81 IRAK4 (0.51) IRAK4KDM4EALDH1A1MAPK1MAPT
SCHEMBL21326692 0.80 IRAK4 (0.51) IRAK4KDM4EALDH1A1HPGDMAPK1
SCHEMBL21326720 0.77 IRAK4 (0.42) IRAK4KDM4EALDH1A1HPGDMAPK1
SCHEMBL21326701 0.77 IRAK4 (0.44) IRAK4KDM4EALDH1A1HPGDTSHR
SCHEMBL19030258 0.76 IRAK4 (0.49) IRAK4KDM4EALDH1A1LMNA
SCHEMBL23093807 0.73 CYP1A2 (0.43) IRAK4ALDH1A1MAPK1LMNAMAPT
SCHEMBL29773944 0.72 IRAK4 (0.59) IRAK4
SCHEMBL29773937 0.69 IRAK4 (0.37) IRAK4
SCHEMBL21326651 0.68 IRAK4 (0.51) IRAK4KDM4EALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2022-09-06 — — US disclosed
CN-109890829-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2022-07-15 — — CN disclosed
US-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-08-20 — — US disclosed
US-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-08-20 — — US disclosed
EP-3535273-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2019-09-11 — — EP 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-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885KDM4E 674/4885ALDH1A1 1023/4885
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885KDM4E 674/4885ALDH1A1 1023/4885

“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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