SCHEMBL19030104

SCHEMBL19030104

O=[N+]([O-])c1cc2c(cc1N1CCC(CO)CC1)OCCN2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.49
▸ KMT2A Q03164 5/20 0.41
▸ MAPT P10636 9/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CSF1R P07333 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ GPR174 Q9BXC1 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 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
SCHEMBL19045409 0.85 MAPT (0.54) KMT2AMAPTALDH1A1LMNAGAA
SCHEMBL19030365 0.83 MAPT (0.50) IRAK4MAPTALDH1A1LMNAGAA
SCHEMBL19030613 0.82 IRAK4 (0.49) IRAK4KMT2AMAPTALDH1A1GAA
SCHEMBL19030252 0.81 IRAK4 (0.50) IRAK4MAPTALDH1A1GAACSF1R
SCHEMBL19030393 0.76 MAPT (0.51) IRAK4MAPTALDH1A1LMNAGAA
SCHEMBL23249961 0.74 ALDH1A1 (0.55) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL31099152 0.74 ALDH1A1 (0.55) KMT2AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL19030215 0.72 MAPT (0.41) KMT2AMAPTALDH1A1LMNAGAA
SCHEMBL19029990 0.72 IRAK4 (0.48) IRAK4KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL23093907 0.71 IRAK4 (0.46) IRAK4ALDH1A1

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 2/4885KMT2A 1557/4885MAPT 1916/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 IRAK4 2/4885KMT2A 1960/4885MAPT 2319/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 IRAK4 2/4885KMT2A 1557/4885MAPT 1916/4885

“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.

Send feedback