SCHEMBL5608092

SCHEMBL5608092

O=C(O)COc1ccc(-c2ccc(CNC(=O)c3cccnc3Oc3ccc4nsnc4c3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.55
GAA P10253 1/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5608880 0.88 MAPK8 (0.55) MAPK8GAAHPGDLMNASMN1; SMN2
SCHEMBL4823308 0.83 MAPK8 (0.53) MAPK8GAAHPGDLMNASMN1; SMN2
SCHEMBL5608095 0.82 MAPK8 (0.56) MAPK8GAAHPGDLMNASMN1; SMN2
SCHEMBL6433473 0.81 PDE4A (0.59) MAPK8GAAHPGD
SCHEMBL4830161 0.81 MAPK8 (0.52) MAPK8GAAHPGDLMNASMN1; SMN2
SCHEMBL4831681 0.81 MAPK8 (0.51) MAPK8HPGDLMNASMN1; SMN2
SCHEMBL6850739 0.78 MAPK8 (0.48) MAPK8HPGDLMNASMN1; SMN2
SCHEMBL5391118 0.77 MAPK8 (0.42) MAPK8GAA
SCHEMBL5390220 0.77 GAA (0.43) MAPK8GAA
SCHEMBL4825784 0.76 PDE10A (0.49) MAPK8GAA

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 14 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
US-6953810-B2 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-10-11 US 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-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US 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 3111/4885GAA 1565/4885HPGD 302/4885
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives NAMPT, NNT, XDH MAPK8 2628/4885GAA 493/4885HPGD 98/4885
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 MAPK8 3287/4885GAA 1710/4885HPGD 262/4885

“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.