SCHEMBL19030463

SCHEMBL19030463

CC(C)(C)OC(=O)N1CCCN(c2cc3c(cc2[N+](=O)[O-])CC(C)(C)O3)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ GPR174 Q9BXC1 6/20 0.45
▸ MAPK1 P28482 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MET P08581 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38

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
SCHEMBL20594509 0.96 MAPT (0.52) MAPTALDH1A1LMNAGPR174MAPK1
SCHEMBL19030367 0.87 MAPT (0.46) MAPTALDH1A1LMNAGPR174MAPK1
SCHEMBL19030855 0.87 MAPT (0.42) MAPTALDH1A1LMNAGPR174MAPK1
SCHEMBL19046011 0.83 ALDH1A1 (0.49) MAPTALDH1A1LMNAGPR174MAPK1
SCHEMBL20594582 0.82 MAPT (0.44) MAPTALDH1A1LMNAGPR174MAPK1
SCHEMBL19045908 0.82 IRAK4 (0.47) IRAK4
SCHEMBL20594546 0.79 SMARCA2 (0.45) MAPTALDH1A1LMNAIRAK4
SCHEMBL19030303 0.79 MAPT (0.46) MAPTALDH1A1LMNAIRAK4SMN1; SMN2
SCHEMBL20594523 0.79 DRD2 (0.47) ALDH1A1LMNAIRAK4GAA
SCHEMBL21326679 0.78 MAPT (0.50) MAPTALDH1A1LMNAKCNH2MET

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 7 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
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 1916/4885ALDH1A1 1146/4885LMNA 3215/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 MAPT 2319/4885ALDH1A1 1115/4885LMNA 3773/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 MAPT 1916/4885ALDH1A1 1146/4885LMNA 3215/4885

“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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