SCHEMBL29935178

SCHEMBL29935178

Nc1cc2c(cc1N1CCC(CO)CC1)OCC=N2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.32
▸ IRAK4 Q9NWZ3 6/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ CHRM3 P20309 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PIK3CA P42336 1/20 0.30
▸ ITGB2 P05107 1/20 0.30
▸ ICAM1 P05362 1/20 0.30
▸ ITGAL P20701 1/20 0.30
▸ ATR Q13535 1/20 0.30
▸ ATRIP Q8WXE1 1/20 0.30

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
SCHEMBL19030252 0.71 IRAK4 (0.50) CSF1RIRAK4LRRK2PIK3CAITGB2
SCHEMBL19030158 0.69 IRAK4 (0.51) IRAK4
SCHEMBL19029913 0.68 IRAK4 (0.51) IRAK4
SCHEMBL30090056 0.68 IRAK4 (0.51) IRAK4
SCHEMBL29538219 0.68 SYK (0.39) —
SCHEMBL30684782 0.68 SYK (0.39) —
SCHEMBL30090141 0.67 IRAK4 (0.51) IRAK4
SCHEMBL19029928 0.67 IRAK4 (0.51) IRAK4
SCHEMBL23983464 0.65 HTT (0.43) —
SCHEMBL357944 0.65 KDM4E (0.58) 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 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 CSF1R 310/4885IRAK4 2/4885LRRK2 1144/4885

“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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