SCHEMBL29935368

SCHEMBL29935368

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(N)c(N3CCOCC3)cc1O2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.44
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PIK3CA P42336 6/20 0.41
▸ PIK3R1 P27986 4/20 0.41
▸ IRAK4 Q9NWZ3 5/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL19029978 1.00 GPR119 (0.44) GPR119USP2SMN1; SMN2PIK3CAPIK3R1
SCHEMBL19029902 0.85 IRAK4 (0.42) SMN1; SMN2IRAK4
SCHEMBL19045086 0.85 IRAK4 (0.46) USP2SMN1; SMN2IRAK4
SCHEMBL19030303 0.85 MAPT (0.46) GPR119USP2SMN1; SMN2IRAK4HRH3
SCHEMBL19045085 0.84 USP2 (0.40) GPR119USP2SMN1; SMN2IRAK4HRH3
SCHEMBL23110742 0.84 IRAK4 (0.40) IRAK4
SCHEMBL19030064 0.81 IRAK4 (0.47) IRAK4
SCHEMBL20594546 0.81 SMARCA2 (0.45) IRAK4
SCHEMBL19030334 0.80 IRAK4 (0.45) SMN1; SMN2IRAK4
SCHEMBL31235945 0.79 NR1H2 (0.53) GPR119HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 — — 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 (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-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 GPR119 1226/4885USP2 2869/4885SMN1; SMN2 2369/4885

“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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