SCHEMBL19030613

SCHEMBL19030613

O=C1COc2cc(N3CCC(CO)CC3)c([N+](=O)[O-])cc2N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.49
▸ TRPV1 Q8NER1 9/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CSF1R P07333 1/20 0.37

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
SCHEMBL19030158 0.82 IRAK4 (0.51) IRAK4TRPV1MAPTTHRBKMT2A
SCHEMBL30090065 0.82 AKR1B1 (0.48) MAPTGAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL23110674 0.82 AKR1B1 (0.48) MAPTGAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL19030104 0.82 IRAK4 (0.49) IRAK4MAPTKMT2AMEN1GAA
SCHEMBL19029990 0.73 IRAK4 (0.48) IRAK4MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL31099152 0.73 ALDH1A1 (0.55) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL23249961 0.73 ALDH1A1 (0.55) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL30090142 0.72 NR3C2 (0.44) RAB9AMAPTTHRBKMT2ANR3C2
SCHEMBL8917238 0.72 NR3C2 (0.44) RAB9AMAPTTHRBKMT2ANR3C2
SCHEMBL19030045 0.72 IRAK4 (0.49) IRAK4SMN1; SMN2

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 8 patents. 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
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 — — CN disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
EP-3394066-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-10-31 — — EP disclosed
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2018-10-18 — — US disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — WO disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — 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 (3 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-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 IRAK4 2/4885TRPV1 4032/4885RAB9A 3221/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 IRAK4 2/4885TRPV1 3300/4885RAB9A 3146/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 IRAK4 2/4885TRPV1 4032/4885RAB9A 3221/4885

“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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