SCHEMBL20594529

SCHEMBL20594529

CC1(C)Cc2cc([N+](=O)[O-])c(N3CCN(CCNC(=O)O)CC3)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ IRAK4 Q9NWZ3 12/20 0.41
▸ GAA P10253 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL20594523 0.88 DRD2 (0.47) LMNAALDH1A1L3MBTL1IRAK4GAA
SCHEMBL19030707 0.86 IRAK4 (0.48) LMNAALDH1A1IRAK4GAA
SCHEMBL20594541 0.84 IRAK4 (0.44) IRAK4
SCHEMBL20594582 0.82 MAPT (0.44) LMNAALDH1A1IRAK4GAA
SCHEMBL19030083 0.82 IRAK4 (0.42) LMNAALDH1A1IRAK4GAA
SCHEMBL19030119 0.81 MAPT (0.46) LMNAALDH1A1IRAK4GAA
SCHEMBL19030367 0.79 MAPT (0.46) LMNAALDH1A1IRAK4GAA
SCHEMBL19030014 0.79 IRAK4 (0.48) LMNAALDH1A1IRAK4GAA
SCHEMBL19046011 0.79 ALDH1A1 (0.49) LMNAALDH1A1L3MBTL1GAA
SCHEMBL19030431 0.77 IRAK4 (0.50) LMNAALDH1A1L3MBTL1IRAK4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 — — US disclosed
EP-3642204-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 — — EP disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 — — US disclosed
WO-2018234345-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-27 — — WO 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 LMNA 3564/4885ALDH1A1 1232/4885L3MBTL1 3703/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 LMNA 3564/4885ALDH1A1 1232/4885L3MBTL1 3703/4885

“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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