SCHEMBL20595499

SCHEMBL20595499

CC(C)(C)OC(=O)N1CC(N)C(Oc2cc3c(cc2[N+](=O)[O-])CC(C)(C)O3)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NR1H2 P55055 2/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ MET P08581 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL20595500 1.00 ALDH1A1 (0.36) ALDH1A1LMNAMAPTNR1H2GPR119
SCHEMBL28668729 0.83 PDE4B (0.39) ALDH1A1LMNAMAPTGPR119KDM1A
SCHEMBL19046170 0.83 PDE4B (0.39) ALDH1A1LMNAMAPTGPR119KDM1A
SCHEMBL21852671 0.80 PDE4B (0.42) MAPTMEN1KMT2APDE4B
SCHEMBL21852669 0.80 PDE4B (0.42) MAPTMEN1KMT2APDE4B
SCHEMBL20595501 0.79 IRAK4 (0.32) ALDH1A1MEN1KMT2AIRAK4
SCHEMBL20594509 0.77 MAPT (0.52) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL19030463 0.73 MAPT (0.48) ALDH1A1LMNAMAPTMETIRAK4
SCHEMBL28663614 0.72 F2RL3 (0.38) ALDH1A1LMNAGPR119MEN1KMT2A
SCHEMBL28663618 0.72 F2RL3 (0.38) ALDH1A1LMNAGPR119MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 — — US disclosed
CN-111094292-A Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-05-01 — — CN disclosed
EP-3642204-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 — — EP disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 — — US disclosed
WO-2018234345-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-27 — — WO 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 ALDH1A1 1232/4885LMNA 3564/4885MAPT 2125/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 1232/4885LMNA 3564/4885MAPT 2125/4885

“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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