SCHEMBL4828046

SCHEMBL4828046

CCOC(=O)c1cccnc1Oc1ccc2nsnc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 3/20 0.44
MAPK1 P28482 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4828049 0.85 L3MBTL1 (0.49) GAATDP1L3MBTL1ALDH1A1NPC1
SCHEMBL4825784 0.83 PDE10A (0.49) GAAKDM4EHSD17B10TDP1ALDH1A1
SCHEMBL7373185 0.82 TDP1 (0.44) GAAKDM4EHSD17B10TDP1L3MBTL1
SCHEMBL7365621 0.81 NPC1 (0.58) KDM4ETDP1L3MBTL1ALDH1A1NPC1
SCHEMBL7368687 0.81 NPC1 (0.51) KDM4ETDP1L3MBTL1ALDH1A1NPC1
SCHEMBL8560540 0.80 GAA (0.62) GAATDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL7369514 0.80 CARM1 (0.52) TDP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL7366446 0.80 TDP1 (0.44) GAATDP1L3MBTL1ALDH1A1NPC1
SCHEMBL20831533 0.79 TDP1 (0.72) GAATDP1L3MBTL1ALDH1A1LMNA
SCHEMBL15912476 0.78 TDP1 (0.57) GAATDP1L3MBTL1ALDH1A1NPC1

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 19 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-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 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
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 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
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
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
WO-2002060896-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO 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 (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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D GAA 181/4885KDM4E 200/4885HSD17B10 981/4885
US-20050049258-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PDE4A, PDE4B, PDE3B GAA 2336/4885KDM4E 832/4885HSD17B10 235/4885
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PDE4B, PDE4A, NOX4 GAA 532/4885KDM4E 698/4885HSD17B10 1189/4885
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE4B GAA 1502/4885KDM4E 2390/4885HSD17B10 378/4885

“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.