SCHEMBL4825896

SCHEMBL4825896

O=C(O)c1cccnc1Oc1nonc1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
PDE10A Q9Y233 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL4828056 0.87 L3MBTL1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL4825786 0.80 MAPK8 (0.45) MAPK8L3MBTL1ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL5359763 0.78 MAPK8 (0.54) MAPK8SMN1; SMN2LMNA
SCHEMBL6850742 0.77 MAPK8 (0.56) MAPK8SMN1; SMN2LMNAMAPT
SCHEMBL6438916 0.77 MAPK8 (0.56) MAPK8SMN1; SMN2LMNA
SCHEMBL5395706 0.76 MAPK8 (0.48) MAPK8ALDH1A1
SCHEMBL5405986 0.76 MAPK8 (0.55) MAPK8SMN1; SMN2LMNA
SCHEMBL5402467 0.75 PDE4A (0.47) MAPK8SMN1; SMN2LMNA
SCHEMBL258223 0.75 ALDH1A1 (0.55) L3MBTL1ALDH1A1CYP2C9SMN1; SMN2TDP1
SCHEMBL6063444 0.73 MAPK8 (0.44) MAPK8L3MBTL1ALDH1A1CYP2C9SMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
EP-1373258-B1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-09-28 EP disclosed
EP-1252158-B1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-04-20 EP disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC 2005-03-03 US disclosed
US-6828333-B2 Treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC. 2004-12-07 US disclosed
US-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC 2004-09-02 US disclosed
EP-1373258-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2004-01-02 EP disclosed
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PFIZER INC. 2003-10-02 US disclosed
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2003-02-06 US disclosed
EP-1252158-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. 2002-08-15 US disclosed
WO-2002060896-A1 ETHER 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
WO-2001057036-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 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 (6 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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D MAPK8 1563/4885L3MBTL1 3318/4885ALDH1A1 424/4885
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PDE4A, PDE4B, PDE3B MAPK8 3103/4885L3MBTL1 3323/4885ALDH1A1 411/4885
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PDE4B, PDE4A, NOX4 MAPK8 1820/4885L3MBTL1 4587/4885ALDH1A1 245/4885
US-20040171798-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, PDE4A, NOX1 MAPK8 2655/4885L3MBTL1 3467/4885ALDH1A1 416/4885
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE4B MAPK8 3504/4885L3MBTL1 2643/4885ALDH1A1 474/4885
US-20020111495-A1 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes NOX3, NOX1, NOX4 MAPK8 2943/4885L3MBTL1 3449/4885ALDH1A1 457/4885

“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.