SCHEMBL5359874

SCHEMBL5359874

O=C(O)c1cccnc1OC1=COC(Cc2ccccc2)O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 3/20 0.37
CNR1 P21554 2/20 0.37
PDE10A Q9Y233 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7682228 0.87 L3MBTL1 (0.52) ALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL6611902 0.84 GPBAR1 (0.34) MAPK8KDM4E
SCHEMBL5357847 0.83 PTGER4 (0.38) CYP2C9TDP1
SCHEMBL5359315 0.82 PTGER4 (0.39) MAPK8KDM4E
SCHEMBL5365077 0.82 MAPK8 (0.56) MAPK8SMN1; SMN2
SCHEMBL5364869 0.81 MAPK8 (0.52) MAPK8ALDH1A1KDM4E
SCHEMBL5358857 0.80 MAPK8 (0.53) MAPK8SMN1; SMN2
SCHEMBL5362092 0.79 MAPK8 (0.52) MAPK8SMN1; SMN2
SCHEMBL6474578 0.78 P2RX7 (0.33) ALDH1A1KDM4E
SCHEMBL5361468 0.78 MAPK8 (0.51) MAPK8SMN1; SMN2

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
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-6953810-B2 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-10-11 US disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
US-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC 2004-09-02 US disclosed
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2004-03-11 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
EP-1355884-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP disclosed
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-12-19 US disclosed
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. 2002-08-15 US disclosed
WO-2002060875-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
EP-1229034-A1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes Pfizer Products Inc. (US) 2002-08-07 EP disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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 (4 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 3111/4885ALDH1A1 607/4885CYP2C9 1587/4885
US-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, PDE4A, NOX1 MAPK8 2655/4885ALDH1A1 416/4885CYP2C9 1824/4885
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 MAPK8 2943/4885ALDH1A1 457/4885CYP2C9 1685/4885
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 MAPK8 3287/4885ALDH1A1 584/4885CYP2C9 1553/4885

“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.