SCHEMBL19030428

SCHEMBL19030428

CCOC(=O)C(C)(C)N1CCN(c2cc3c(cc2[N+](=O)[O-])CC(C)(C)O3)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.45
▸ GPR174 Q9BXC1 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ IRAK4 Q9NWZ3 5/20 0.39
▸ RECQL P46063 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPK1 P28482 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
SCHEMBL19030119 0.84 MAPT (0.46) MAPTGPR174ALDH1A1SMN1; SMN2MEN1
SCHEMBL19030476 0.83 IRAK4 (0.49) MAPTGPR174ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL20594509 0.81 MAPT (0.52) MAPTGPR174ALDH1A1SMN1; SMN2MEN1
SCHEMBL20594582 0.80 MAPT (0.44) MAPTGPR174ALDH1A1SMN1; SMN2LMNA
SCHEMBL19030463 0.78 MAPT (0.48) MAPTGPR174ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL19046011 0.78 ALDH1A1 (0.49) MAPTGPR174ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28407980 0.78 MAPT (0.37) MAPTGPR174MEN1CYP1A2CYP2C9
SCHEMBL19030707 0.77 IRAK4 (0.48) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL20594523 0.76 DRD2 (0.47) ALDH1A1LMNAGAAIRAK4
SCHEMBL20594529 0.76 LMNA (0.43) ALDH1A1LMNAGAAIRAK4

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 MAPT 1916/4885GPR174 92/4885ALDH1A1 1146/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 MAPT 2319/4885GPR174 171/4885ALDH1A1 1115/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 MAPT 1916/4885GPR174 92/4885ALDH1A1 1146/4885

“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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