SCHEMBL4828112

SCHEMBL4828112

CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc3nonc3c2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
LMNA P02545 1/20 0.48
MAPK8 P45983 5/20 0.46
GAA P10253 1/20 0.41

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
SCHEMBL4826727 0.90 MAPK8 (0.54) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4830104 0.88 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4830144 0.88 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4825983 0.87 MAPK8 (0.53) LMNAMAPK8
SCHEMBL5400546 0.87 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7370389 0.87 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7367201 0.85 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL4830159 0.85 MAPK8 (0.44) LMNAMAPK8GAA
SCHEMBL5395068 0.84 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL5395060 0.84 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US claimed
EP-1252158-B1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-04-20 EP claimed
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PFIZER INC. 2003-10-02 US claimed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
EP-1252158-B1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-04-20 EP disclosed
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PFIZER INC. 2003-10-02 US disclosed
EP-1252158-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
WO-2001057036-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 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-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PDE4B, PDE4A, NOX4 PDE4A 2/4885PDE4B 1/4885PDE4C 8/4885

“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.