SCHEMBL7023262

SCHEMBL7023262

Cc1c(N)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
OGFOD1 Q8N543 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
HIF1AN Q9NWT6 1/20 0.38
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 4/20 0.36
PKM P14618 1/20 0.36
USP2 O75604 2/20 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
SCHEMBL7029843 0.98 NPSR1 (0.44) MAPTNPSR1MEN1KMT2AXBP1
SCHEMBL7030999 0.95 MAPK1 (0.41) MAPTNPSR1MEN1KMT2AXBP1
SCHEMBL7026739 0.91 MEN1 (0.39) MAPTNPSR1MEN1KMT2AXBP1
SCHEMBL10962187 0.75 GSK3A (0.46) MAPTNPSR1MEN1KMT2AXBP1
SCHEMBL11847806 0.73 GSK3A (0.54) MAPTNPSR1MEN1KMT2AXBP1
SCHEMBL4480783 0.71 MAPT (0.43) MAPTNPSR1MEN1KMT2AXBP1
SCHEMBL11595799 0.71 GSK3A (0.42) MAPTNPSR1MEN1KMT2AXBP1
SCHEMBL9427515 0.71 MEN1 (0.41) MAPTNPSR1MEN1KMT2AXBP1
SCHEMBL16004440 0.71 GSK3A (0.50) MAPTNPSR1MEN1KMT2AXBP1
SCHEMBL11732411 0.68 MAPT (0.40) MAPTNPSR1MEN1KMT2AXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531600-B1 8-substituted xanthines have a protective effect against the consequences of cerebral metabolic inhibition; cerebral vascular and neuronal degenerative disorders; 6-aminouracil intermediate is claimed BEECHAM GROUP P.L.C. (GB) 2003-03-11 US disclosed
EP-0389282-B1 Xanthinederivatives, process for their preparation and their pharmaceutical use SMITHKLINE BEECHAM PHARMA GMBH (DE) 2002-02-20 EP disclosed
EP-1120417-A2 Xanthine derivatives for the treatment of cerebrovascular disorders SMITHKLINE BEECHAM PHARMA GmbH (DE) 2001-08-01 EP disclosed
US-6180791-B1 REDUCING NITRO GROUPS TO FORM AMINO GROUPS BEECHAM GROUP P.L.C. (GB) 2001-01-30 US disclosed
US-5981535-A FOR TREATMENT OF ALLERGIC DISORDERS ASSOCIATED WITH ATOPY, BRONCHODILATION TO TREAT DISORDERS OF THE RESPIRATORY TRACT IN A MAMMAL SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-09 US disclosed
US-5734051-A TREATMENT OF CEREBROVASCULAR DISORDERS AND-OR DISORDERS ASSOCIATED WITH CEREBRAL SENILITY BEECHAM GROUP (GB) 1998-03-31 US disclosed
CN-1031641-C Process for preparing 8-substituted xanthine BEECHAM WUELFING GMBH & CO KG (DE) 1996-04-24 CN disclosed
EP-0369744-B1 Xanthine derivatives, process for their preparation and pharmaceutical compositions SMITHKLINE BEECHAM PHARMA GMBH (DE) 1994-09-21 EP disclosed
US-5321029-A Vascular and skin disorders; bronchodilator BEECHAM-WUELFING GMBH & CO.K.G. (DE) 1994-06-14 US disclosed
CN-1047502-A The preparation method of 8-substituted xanthine BEECHAM WUELFING GMBH & CO KG (DE) 1990-12-05 CN disclosed
EP-0389282-A2 Xanthinederivatives, process for their preparation and their pharmaceutical use BEECHAM - WUELFING GmbH & Co. KG (DE) 1990-09-26 EP disclosed
EP-0369744-A2 Xanthine derivatives, process for their preparation and pharmaceutical compositions SMITHKLINE BEECHAM PHARMA GmbH (DE) 1990-05-23 EP disclosed