SCHEMBL6989382

SCHEMBL6989382

O=C(O)c1cc(O[C@H]2CCOC2)c(O)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.38
PDE4A P27815 9/20 0.38
PDE4B Q07343 9/20 0.38
PDE4C Q08493 9/20 0.38
DTYMK P23919 1/20 0.35
SYK P43405 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
SCHEMBL7226064 1.00 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CDTYMK
SCHEMBL31145708 0.87 DTYMK (0.40) DTYMK
SCHEMBL28779916 0.87 PDE4D (0.37) PDE4DPDE4APDE4BPDE4CDTYMK
SCHEMBL28779919 0.87 PDE4D (0.37) PDE4DPDE4APDE4BPDE4CDTYMK
SCHEMBL28868059 0.86 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL28868061 0.86 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C
SCHEMBL4230982 0.85 HCAR3 (0.41) PDE4DPDE4APDE4BPDE4CDTYMK
SCHEMBL6990530 0.81 MAPK8 (0.41) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL7221383 0.81 MAPK8 (0.41) PDE4DPDE4APDE4BPDE4CSYK
SCHEMBL29267955 0.79 DTYMK (0.45) DTYMK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 EP disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US disclosed
WO-2002018351-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 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 (1 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-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 PDE4D 3178/4885PDE4A 2385/4885PDE4B 2564/4885

“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.