SCHEMBL21326717

SCHEMBL21326717

CC(C)(O)C1(C)Cc2cc([N+](=O)[O-])c(N3CCOCC3)nc2O1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 5/20 0.51
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL21326682 0.86 CYP1A2 (0.48) IRAK4CYP1A2CYP2C9MAPTALDH1A1
SCHEMBL21326643 0.81 IRAK4 (0.52) IRAK4MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL23093807 0.80 CYP1A2 (0.43) IRAK4CYP1A2CYP2C9MAPTALDH1A1
SCHEMBL21326707 0.80 CYP1A2 (0.41) IRAK4CYP1A2CYP2C9MAPTALDH1A1
SCHEMBL19030693 0.79 IRAK4 (0.48) IRAK4CYP1A2CYP2C9MAPTALDH1A1
SCHEMBL21326665 0.78 CYP2C9 (0.41) IRAK4CYP1A2CYP2C9MAPTALDH1A1
SCHEMBL21326647 0.74 IRAK4 (0.38) IRAK4MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL21326713 0.73 DPP4 (0.39) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL21326679 0.73 MAPT (0.50) MAPTALDH1A1SMN1; SMN2
SCHEMBL21326701 0.73 IRAK4 (0.44) IRAK4CYP1A2CYP2C9MAPTALDH1A1

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 1/4885CYP1A2 3169/4885CYP2C9 3282/4885
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885CYP1A2 3169/4885CYP2C9 3282/4885

“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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