SCHEMBL5608301

SCHEMBL5608301

CC(Oc1ccc(-c2ccc(CNC(=O)c3cccnc3Oc3cccc(C#N)c3)cc2)c(F)c1)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
MAPK8 P45983 1/20 0.45
ROCK2 O75116 1/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5381681 0.88 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DMAPK8
SCHEMBL5381658 0.88 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DMAPK8
SCHEMBL6491905 0.82 MAPK8 (0.48) MAPK8ADRA2AADRA2BADRA2C
SCHEMBL5388428 0.81 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMAPK8
SCHEMBL5397426 0.81 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DMAPK8
SCHEMBL5388749 0.80 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DMAPK8
SCHEMBL5388761 0.80 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DMAPK8
SCHEMBL7680876 0.80 MAPK8 (0.54) MAPK8HPGDLMNASMN1; SMN2ADRA2A
SCHEMBL6480661 0.78 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAPK8
SCHEMBL5392763 0.78 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMAPK8

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 13 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-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 PDE4A 13/4885PDE4B 12/4885PDE4C 36/4885
US-20050154006-A1 Pharmaceutical compositions based on a scopineester and nicotinamide derivatives NAMPT, NNT, XDH PDE4A 701/4885PDE4B 713/4885PDE4C 811/4885
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 PDE4A 16/4885PDE4B 14/4885PDE4C 42/4885

“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.