SCHEMBL21326690

SCHEMBL21326690

CC1(C)Cc2cc([N+](=O)[O-])c(N3CCC(CO)CC3)nc2O1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 15/20 0.50
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ RHOA P61586 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
SCHEMBL21326713 0.83 DPP4 (0.39) ALDH1A1HTT
SCHEMBL21326657 0.83 IRAK4 (0.50) IRAK4KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL21326724 0.82 DPP4 (0.39) ALDH1A1MAPK1HTT
SCHEMBL21326652 0.82 IRAK4 (0.51) IRAK4ALDH1A1MAPK1HTT
SCHEMBL21326682 0.82 CYP1A2 (0.48) IRAK4KMT2AALDH1A1MAPK1HTT
SCHEMBL21326647 0.81 IRAK4 (0.38) IRAK4ALDH1A1MAPK1HTT
SCHEMBL21326696 0.81 IRAK4 (0.51) IRAK4CHRM3PDE4APDE4BPDE4C
SCHEMBL19029990 0.80 IRAK4 (0.48) IRAK4KMT2AALDH1A1
SCHEMBL29773991 0.80 IRAK4 (0.37) IRAK4KMT2AALDH1A1MAPK1HTT
SCHEMBL21326709 0.79 IRAK4 (0.53) IRAK4ALDH1A1

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 1/4885KMT2A 2273/4885ALDH1A1 1023/4885
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885KMT2A 2273/4885ALDH1A1 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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