SCHEMBL6437818

SCHEMBL6437818

CC(C)(c1ccc(-c2ccc(CNC(=O)c3cccnc3Oc3ccc4c(c3)OCO4)cc2)c(F)c1)c1nnn[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.41
MAPK8 P45983 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5353905 0.91 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5359744 0.81 PTGER4 (0.46) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL6051353 0.80 HPGD (0.59) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5607481 0.80 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5361492 0.80 MAPK8 (0.52) MAPK8LMNASMN1; SMN2HPGD
SCHEMBL5362716 0.79 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5359218 0.79 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMAPK8
SCHEMBL5362615 0.79 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5362091 0.78 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL5361988 0.77 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO claimed
US-6953810-B2 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-10-11 US 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 (2 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-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.