SCHEMBL359504

SCHEMBL359504

CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)cc2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.52
PDE4B Q07343 3/20 0.50
PDE4D Q08499 3/20 0.50
PDE4A P27815 2/20 0.50
PDE4C Q08493 2/20 0.50
LMNA P02545 2/20 0.47
STS P08842 2/20 0.47
MAPK1 P28482 1/20 0.47
CACNB4 O00305 2/20 0.47
CACNA1A O00555 2/20 0.47
CACNA1G O43497 2/20 0.47
CACNG3 O60359 2/20 0.47
CACNA1F O60840 2/20 0.47
CACNA1H O95180 2/20 0.47
CACNB3 P54284 2/20 0.47
CACNA2D1 P54289 2/20 0.47
CACNG7 P62955 2/20 0.47
CACNA1B Q00975 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNB1 Q02641 2/20 0.47

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
SCHEMBL370289 0.94 GPR119 (0.47) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL19297092 0.87 GPR119 (0.52) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL23249899 0.87 GPR119 (0.48) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL14453644 0.85 GPR119 (0.52) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL28289254 0.85 KDM4E (0.53) LMNAMAPK1KDM4EEPHX2ALDH1A1
SCHEMBL70414 0.84 KDM1A (0.53) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL16759524 0.84 PDE4B (0.55) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL13648181 0.84 GPR119 (0.46) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL1545806 0.84 GPR119 (0.46) GPR119PDE4BPDE4DPDE4APDE4C
SCHEMBL5864756 0.83 ALDH1A1 (0.53) GPR119PDE4BPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
CN-105367577-A Pyrazolo[1,5A]Pyrimidine Derivatives As Irak4 Modulators HOFFMANN LA ROCHE 2016-03-02 CN disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
CN-102985426-B Pyrazolo [1,5A ] pyrimidine and thieno [3,2B ] pyrimidine derivatives as IRAK4 modulators F. HOFFMANN-LA ROCHE AG (CH) 2015-10-07 CN disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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 (5 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 GPR119 499/4885PDE4B 335/4885PDE4D 859/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 GPR119 499/4885PDE4B 335/4885PDE4D 859/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 GPR119 499/4885PDE4B 335/4885PDE4D 859/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 GPR119 499/4885PDE4B 335/4885PDE4D 859/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 GPR119 499/4885PDE4B 335/4885PDE4D 859/4885

“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.