SCHEMBL20531357

SCHEMBL20531357

CC1(C)Cc2cc([N+](=O)[O-])c(OC[C@H]3CCCN3C(=O)O)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 11/20 0.42
▸ CHRNB4 P30926 4/20 0.37
▸ CHRNA3 P32297 4/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL20531358 1.00 IRAK4 (0.42) IRAK4CHRNB4CHRNA3MEN1KMT2A
SCHEMBL28663618 0.89 F2RL3 (0.38) IRAK4CHRNB4CHRNA3MEN1KMT2A
SCHEMBL28663614 0.89 F2RL3 (0.38) IRAK4CHRNB4CHRNA3MEN1KMT2A
SCHEMBL20531370 0.85 IRAK4 (0.44) IRAK4L3MBTL1
SCHEMBL20531369 0.85 IRAK4 (0.44) IRAK4L3MBTL1
SCHEMBL19030657 0.74 IRAK4 (0.38) IRAK4MEN1KMT2AL3MBTL1
SCHEMBL19030656 0.74 IRAK4 (0.38) IRAK4MEN1KMT2AL3MBTL1
SCHEMBL19046026 0.73 ALOX5AP (0.41) IRAK4
SCHEMBL28670059 0.73 ALOX5AP (0.41) IRAK4
SCHEMBL29935102 0.73 ALOX5AP (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2018-10-18 — — US 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-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 IRAK4 2/4885CHRNB4 3227/4885CHRNA3 3501/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 IRAK4 2/4885CHRNB4 3227/4885CHRNA3 3501/4885

“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.

Send feedback