SCHEMBL5615044

SCHEMBL5615044

NCc1ccc(-c2ccc(CNC(=O)c3cccnc3Oc3ccc(F)cc3)c(F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
LMNA P02545 1/20 0.48

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
SCHEMBL8474405 0.93 MAPK8 (0.54) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5615040 0.89 PDE4A (0.51) MAPK8PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6904217 0.85 MAPK8 (0.66) MAPK8LMNA
SCHEMBL5365177 0.85 MAPK8 (0.53) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5370311 0.84 MAPK8 (0.56) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5366397 0.84 PDE4A (0.56) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL6434520 0.83 PDE4A (0.54) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5355648 0.83 MAPK8 (0.55) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5359261 0.83 MAPK8 (0.52) MAPK8PDE4APDE4BPDE4CPDE4D
SCHEMBL5363448 0.81 PDE4A (0.52) MAPK8PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007517820-A 2007-07-05 JP claimed
EP-1706118-A1 NEW PHARMACEUTICAL COMPOSITIONS BASED ON A SCOPINEESTER AND NICOTINAMIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2006-10-04 EP claimed
WO-2005067929-A1 NEW PHARMACEUTICAL COMPOSITIONS BASED ON A SCOPINEESTER AND NICOTINAMIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-28 WO claimed
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2004-03-11 US claimed
EP-1355884-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP claimed
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-12-19 US claimed
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
EP-1706118-A1 NEW PHARMACEUTICAL COMPOSITIONS BASED ON A SCOPINEESTER AND NICOTINAMIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2006-10-04 EP disclosed
US-6953810-B2 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-10-11 US disclosed
WO-2005067929-A1 NEW PHARMACEUTICAL COMPOSITIONS BASED ON A SCOPINEESTER AND NICOTINAMIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-28 WO disclosed
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US disclosed
US-6649633-B2 For treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-11-18 US 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-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 MAPK8 3111/4885PDE4A 13/4885PDE4B 12/4885
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives NAMPT, NNT, XDH MAPK8 2628/4885PDE4A 701/4885PDE4B 713/4885
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 MAPK8 3287/4885PDE4A 16/4885PDE4B 14/4885

“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.