SCHEMBL5085666

SCHEMBL5085666

CCCCCCN1CN(C)c2c1n(C)c(=O)[nH]c2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 1/20 0.44
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ MAPK1 P28482 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ XBP1 P17861 2/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 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
SCHEMBL6944697 0.94 MAPT (0.37) MAPK10KMT2AMEN1MAPK1TSHR
SCHEMBL8803670 0.92 TK1 (0.43) MAPK10KMT2AMEN1MAPK1TSHR
SCHEMBL9392011 0.91 KMT2A (0.38) MAPK10KMT2AMEN1MAPK1TSHR
SCHEMBL8802577 0.90 MAPK10 (0.38) MAPK10KMT2AMEN1MAPK1TSHR
SCHEMBL6421931 0.88 KDM1A (0.39) MAPK10KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL8952545 0.87 EPHX2 (0.33) MAPK10KMT2AMEN1MAPK1ALDH1A1
SCHEMBL8952620 0.87 KDM4E (0.36) MAPK10KMT2AMEN1MAPK1HPGD
SCHEMBL8952586 0.87 KDM4E (0.36) MAPK10KMT2AMEN1MAPK1HPGD
SCHEMBL8952638 0.87 KDM4E (0.36) MAPK10KMT2AMEN1MAPK1HPGD
SCHEMBL8952508 0.87 KDM4E (0.36) MAPK10KMT2AMEN1MAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111787920-A Pharmaceutical composition for controlling and/or reducing myopia progression 华柏恩视觉研究中心有限公司 2020-10-16 — — CN disclosed
EP-3703691-A1 PHARMACEUTICAL COMPOSITIONS FOR CONTROLLING AND/OR REDUCING THE PROGRESSION OF MYOPIA Brien Holden Vision Institute Limited (AU) 2020-09-09 — — EP disclosed
WO-2008033754-A2 XANTHINE DERIVATIVES IN METHODS AND COMPOSITIONS FOR THE TREATMENT OF VASCULAR DEPRESSION DUKE UNIVERSITY (US) 2008-03-20 — — WO disclosed
EP-1322184-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND DEFINED VITAMINS THE PROCTER & GAMBLE COMPANY (US) 2003-07-02 — — EP disclosed
EP-1322185-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND MINERAL SUPPLEMENT THE PROCTER & GAMBLE COMPANY (US) 2003-07-02 — — EP disclosed
EP-1289532-A2 LOW CARBOHYDRATE COMPOSITIONS, KITS THEREOF, AND METHODS OF USE The Procter & Gamble Company (US) 2003-03-12 — — EP disclosed
EP-1196050-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2002-04-17 — — EP disclosed
WO-2002026055-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND DEFINED VITAMINS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 — — WO disclosed
WO-2002026053-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND MINERAL SUPPLEMENT THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 — — WO disclosed
WO-2001093831-A2 LOW CARBOHYDRATE COMPOSITIONS, KITS THEREOF, AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 — — WO disclosed
WO-2001005253-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 — — WO disclosed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 — — WO disclosed
CN-1085557-A The enantiomorph hydroxylated xanthine compounds CELL THERAPEUTICS INC (US) 1994-04-20 — — CN disclosed
WO-1992007585-A1 THE USE OF ANTIBODIES TO TNF OR FRAGMENTS DERIVED THEREOF AND XANTHINE DERIVATIVES FOR COMBINATION THERAPY AND COMPOSITIONS THEREFOR CELLTECH LIMITED (GB) 1992-05-14 — — WO disclosed
EP-0252487-B1 PACKAGE CONTAINING DRUG COMBINATIONS FOR SUCCESSIVE ADMINISTRATION HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-08 — — EP disclosed
EP-0252487-A2 Package containing drug combinations for successive administration HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 — — EP disclosed
EP-0208962-A2 Combination preparations from thrombocyte aggregation inhibitors, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-21 — — EP disclosed
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