SCHEMBL29935102

SCHEMBL29935102

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cc2c(cc1N)CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ F2RL3 Q96RI0 4/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ GPR119 Q8TDV5 2/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ FPR3 P25089 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ PDE8B O95263 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
SCHEMBL28670059 1.00 ALOX5AP (0.41) ALOX5APFEN1F2RL3IRAK4GPR119
SCHEMBL19046026 1.00 ALOX5AP (0.41) ALOX5APFEN1F2RL3IRAK4GPR119
SCHEMBL20531369 0.88 IRAK4 (0.44) IRAK4
SCHEMBL20531370 0.88 IRAK4 (0.44) IRAK4
SCHEMBL19046025 0.88 F2RL3 (0.39) ALOX5APFEN1F2RL3IRAK4GPR119
SCHEMBL28663618 0.86 F2RL3 (0.38) ALOX5APFEN1F2RL3IRAK4GPR119
SCHEMBL28663614 0.86 F2RL3 (0.38) ALOX5APFEN1F2RL3IRAK4GPR119
SCHEMBL28663720 0.77 IRAK4 (0.59) IRAK4
SCHEMBL14431420 0.74 ALOX5AP (0.48) ALOX5APFEN1F2RL3
SCHEMBL448827 0.74 ALOX5AP (0.47) ALOX5APFEN1F2RL3GPR119FPR3

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 ALOX5AP 2805/4885FEN1 512/4885F2RL3 1048/4885

“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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