SCHEMBL21326696

SCHEMBL21326696

CC1(C)Cc2cc(N)c(N3CCC(CO)CC3)nc2O1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 16/20 0.51
▸ CHRM3 P20309 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35

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
SCHEMBL22344222 0.83 IRAK4 (0.38) IRAK4
SCHEMBL21326690 0.81 IRAK4 (0.50) IRAK4CHRM3PDE4APDE4BPDE4C
SCHEMBL21326651 0.81 IRAK4 (0.51) IRAK4
SCHEMBL21326669 0.80 IRAK4 (0.52) IRAK4LRRK2
SCHEMBL21326611 0.80 IRAK4 (0.46) IRAK4
SCHEMBL19029913 0.77 IRAK4 (0.51) IRAK4
SCHEMBL29773937 0.77 IRAK4 (0.37) IRAK4
SCHEMBL30090056 0.77 IRAK4 (0.51) IRAK4
SCHEMBL21326725 0.77 IRAK4 (0.56) IRAK4
SCHEMBL21326705 0.75 IRAK4 (0.51) IRAK4

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 1/4885CHRM3 4427/4885PDE4A 340/4885
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885CHRM3 4427/4885PDE4A 340/4885

“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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