SCHEMBL5822370

SCHEMBL5822370

O=C(Nc1cc([N+](=O)[O-])ccc1O)C(F)(F)Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
PABPC1 P11940 1/20 0.58
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58
EIF4H Q15056 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
RAB9A P51151 2/20 0.57
CXCR1 P25024 1/20 0.57
CXCR2 P25025 1/20 0.57
KCNMA1 Q12791 1/20 0.57
NPC1 O15118 1/20 0.57
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
MAPT P10636 5/20 0.52
GAA P10253 4/20 0.52
ALDH1A1 P00352 3/20 0.52

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
SCHEMBL7299760 0.90 MEN1 (0.59) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL8129874 0.88 KMT2A (0.58) MEN1KMT2ARAB9ACXCR1CXCR2
SCHEMBL447659 0.85 MEN1 (0.58) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL28117177 0.80 LMNA (0.60) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL1024223 0.80 CXCR2 (0.68) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL1024222 0.80 CXCR2 (0.68) MEN1KMT2APABPC1DUSP3PTPN5
2-Amino-4-Nitrophenol SCHEMBL6224982 0.79 GAA (0.60) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL915213 0.78 MEN1 (0.64) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL5391358 0.78 KMT2A (0.67) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL6510957 0.78 SMN1; SMN2 (0.64) MEN1KMT2APABPC1DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015047124-A1 NOVEL CHEMICAL COMPOUNDS DERIVED FROM 2,4-DIAMINO-1,3,5-TRIAZINE FOR THE PROPHYLAXIS AND TREATMENT OF HUMAN AND ANIMAL DISEASES Общество с ограниченной ответственностью "Молекулярные Технологии" 2015-04-02 WO disclosed
US-20130281446-A1 XINAFOATE SALT OF N4-(2,2-DIFLUORO-4H-BENZO[1,4]OXAZIN-3-ONE)-6-YL]-5-FLUORO-N2-[3-(METHYLAMINOCARBONYLMETHYLENEOXY)PHENYL]2,4-PYRIMIDINEDIAMINE RIGEL PHARMACEUTICALS, INC. 2013-10-24 US disclosed
US-8486935-B2 Xinafoate salt of N4-(2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]2,4-pyrimidinediamine RIGEL PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
WO-2013059631-A1 METHOD AND DEVICE FOR ADMINISTERING XINAFOATE SALT OF N4-(2,2-DIFLUORO-4H-BENZO [1,4] OXAZIN-3-ONE) -6-YL] -5-FLUORO-N2- [3- (METHYLAMINOCARBONYLMETHYLENEOXY) PHENYL] 2,4-PYRIMIDINEDIAMINE RIGEL PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
US-20130102596-A1 METHOD AND DEVICE FOR ADMINISTERING XINAFOATE SALT OF N4-(2,2-DIFLUORO-4H-BENZO [1,4]OXAZIN-3-ONE)-6-YL]-5-FLUORO-N2-[3- (METHYLAMINOCARBONYLMETHYLENEOXY) PHENYL]2,4-PYRIMIDINEDIAMINE RIGEL PHARMACEUTICALS, INC. (US) 2013-04-25 US disclosed
US-8193181-B2 Xinafoate salt of N4-(2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy) phenyl]2,4-pyrimidinediamine RIGEL PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20100204232-A1 XINAFOATE SALT OF N4-(2,2-DIFLUORO-4H-BENZ0 [1,4] OXAZIN-3-ONE) -6-YL] -5-FLUORO-N2- [3-(METHYLAMINOCAR BONYLMETHYLENEOXY) PHENYL] 2,4-PYRIMIDINEDIAMINE MIDCAP FINANCIAL TRUST 2010-08-12 US disclosed
WO-2006129100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-12-07 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 (3 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-20100204232-A1 XINAFOATE SALT OF N4-(2,2-DIFLUORO-4H-BENZ0 [1,4] OXAZIN-3-ONE) -6-YL] -5-FLUORO-N2- [3-(METHYLAMINOCAR BONYLMETHYLENEOXY) PHENYL] 2,4-PYRIMIDINEDIAMINE HRH4, P2RY10, KCNN4 MEN1 3005/4885KMT2A 690/4885PABPC1 2708/4885
US-20130102596-A1 METHOD AND DEVICE FOR ADMINISTERING XINAFOATE SALT OF N4-(2,2-DIFLUORO-4H-BENZO [1,4]OXAZIN-3-ONE)-6-YL]-5-FLUORO-N2-[3- (METHYLAMINOCARBONYLMETHYLENEOXY) PHENYL]2,4-PYRIMIDINEDIAMINE YTHDF1, YTHDF2, YTHDF3 MEN1 2883/4885KMT2A 1105/4885PABPC1 2331/4885
US-20130281446-A1 XINAFOATE SALT OF N4-(2,2-DIFLUORO-4H-BENZO[1,4]OXAZIN-3-ONE)-6-YL]-5-FLUORO-N2-[3-(METHYLAMINOCARBONYLMETHYLENEOXY)PHENYL]2,4-PYRIMIDINEDIAMINE P2RY4, KCNN4, KCNJ4 MEN1 3663/4885KMT2A 953/4885PABPC1 2208/4885

“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.