SCHEMBL28239305

SCHEMBL28239305

CC(C)(C)OC(=O)Nc1cc(-c2ncco2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
BACE2 Q9Y5Z0 1/20 0.46
TGFBR1 P36897 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
AAK1 Q2M2I8 9/20 0.41
PIK3C3 Q8NEB9 3/20 0.41
ATR Q13535 1/20 0.41
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
PSMB8 P28062 1/20 0.39
CYP17A1 P05093 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
SCHEMBL13634380 0.83 TGFBR1 (0.48) TGFBR1IRAK4GSK3BDYRK1AAAK1
SCHEMBL13162322 0.81 IRAK4 (0.44) TGFBR1IRAK4GSK3BDYRK1AAAK1
SCHEMBL29505431 0.81 IRAK4 (0.44) TGFBR1IRAK4GSK3BDYRK1AAAK1
SCHEMBL31268286 0.80 IRAK4 (0.43) TGFBR1IRAK4GSK3BDYRK1AAAK1
SCHEMBL2080592 0.80 IRAK4 (0.43) TGFBR1IRAK4GSK3BDYRK1AAAK1
SCHEMBL5251219 0.80 EGFR (0.57) TGFBR1IRAK4GSK3BDYRK1AAAK1
SCHEMBL27790484 0.79 TGFBR1 (0.42) TGFBR1IRAK4GSK3BDYRK1AAAK1
SCHEMBL29992322 0.79 AAK1 (0.48) TGFBR1IRAK4GSK3BDYRK1AAAK1
SCHEMBL8670718 0.79 FDPS (0.50) TGFBR1IRAK4GSK3BDYRK1AAAK1
SCHEMBL17643492 0.79 AAK1 (0.48) TGFBR1IRAK4GSK3BDYRK1AAAK1

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-20250361244-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS AURIGENE ONCOLOGY LTD (IN) 2025-11-27 US disclosed
CN-105899505-B Pyrazoles for the treatment of autoimmune disorders 武田药品工业株式会社 2018-08-28 CN 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 (1 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-20250361244-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 BACE1 2192/4885BACE2 4028/4885TGFBR1 744/4885

“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.