SCHEMBL21326682

SCHEMBL21326682

CC1(C)Cc2cc([N+](=O)[O-])c(N3CCOCC3)nc2O1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ IRAK4 Q9NWZ3 2/20 0.45
▸ MAPT P10636 8/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL23093807 0.93 CYP1A2 (0.43) CYP1A2CYP2C9IRAK4MAPTALDH1A1
SCHEMBL21326713 0.87 DPP4 (0.39) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL21326724 0.86 DPP4 (0.39) CYP1A2CYP2C9MAPTALDH1A1CYP2C19
SCHEMBL21326717 0.86 IRAK4 (0.51) CYP1A2CYP2C9IRAK4MAPTALDH1A1
SCHEMBL21326647 0.85 IRAK4 (0.38) IRAK4MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL21326665 0.84 CYP2C9 (0.41) CYP1A2CYP2C9IRAK4MAPTALDH1A1
SCHEMBL21326707 0.84 CYP1A2 (0.41) CYP1A2CYP2C9IRAK4MAPTALDH1A1
SCHEMBL29773991 0.83 IRAK4 (0.37) IRAK4MAPTALDH1A1KMT2AMAPK1
SCHEMBL21326690 0.82 IRAK4 (0.50) IRAK4ALDH1A1KMT2AMAPK1HTT
SCHEMBL21326657 0.82 IRAK4 (0.50) IRAK4MAPTALDH1A1CYP2C19KMT2A

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
CN-112480101-B IRAK4 kinase inhibitor, preparation and application thereof 中国科学院上海药物研究所 2022-11-25 — — CN disclosed
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
WO-2021047677-A1 IRAK4 KINASE INHIBITOR AND PREPARATION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2021-03-18 — — WO disclosed
CN-112480101-A IRAK4 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2021-03-12 — — 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 CYP1A2 3169/4885CYP2C9 3282/4885IRAK4 1/4885
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 CYP1A2 3169/4885CYP2C9 3282/4885IRAK4 1/4885

“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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