SCHEMBL3715441

SCHEMBL3715441

O=C1Nc2cc([N+](=O)[O-])ccc2OC1(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.48
CAPN9 O14815 1/20 0.42
CASP3 P42574 1/20 0.42
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1B1 P15121 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 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
SCHEMBL3039804 0.88 ALPL (0.48) ALPLCAPN9CASP3CYP3A4TDP1
SCHEMBL1744628 0.84 PSMB8 (0.39) ALPLCAPN9CASP3CYP3A4TDP1
SCHEMBL56146 0.83 ALDH1A1 (0.51) ALPLCAPN9CASP3CYP3A4TDP1
SCHEMBL8799897 0.81 ALPL (0.45) ALPLCAPN9CASP3CYP3A4TDP1
SCHEMBL13007730 0.81 ALPL (0.47) ALPLCAPN9CASP3CYP3A4TDP1
SCHEMBL8800996 0.78 ALPL (0.45) ALPLCAPN9CASP3CYP3A4TDP1
SCHEMBL13253436 0.78 ALPL (0.48) ALPLCAPN9CASP3CYP3A4TDP1
SCHEMBL8634618 0.77 NPC1 (0.46) ALPLCAPN9CASP3CYP3A4TDP1
SCHEMBL15337524 0.76 ALPL (0.44) ALPLCAPN9CASP3CYP3A4TDP1
SCHEMBL8801637 0.76 ALPL (0.41) ALPLCAPN9CASP3CYP3A4TDP1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064646-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) 2018-03-08 US disclosed
US-9453028-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-9453028-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-20150376203-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2015-12-31 US disclosed
US-20150376203-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2015-12-31 US disclosed
EP-2387572-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2015-09-16 EP disclosed
US-9095593-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-9095593-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 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
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-2010083207-A2 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2010-07-22 WO disclosed
US-20100184755-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-07-22 US disclosed
US-20100184755-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-07-22 US disclosed
WO-2009031011-A2 XINAFOATE SALT OF N4-(2, 2-DIFLUORO-4H-BENZ0 [1,4] 0XAZIN-3-ONE) -6-YL] -5-FLUORO-N2- [3- (METHYLAMINOCAR BONYLMETHYLENEOXY) PHENYL] 2, 4-PYRIMIDINEDIAMINE PFIZER LIMITED (GB) 2009-03-12 WO disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 WO 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 (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-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 ALPL 1526/4885CAPN9 3521/4885CASP3 3166/4885
US-20150376203-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALPL 2419/4885CAPN9 920/4885CASP3 3560/4885
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 ALPL 2178/4885CAPN9 4509/4885CASP3 542/4885
US-20100184755-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB ALPL 2419/4885CAPN9 920/4885CASP3 3560/4885
US-20180064646-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 ALPL 2401/4885CAPN9 2781/4885CASP3 3822/4885
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 ALPL 3320/4885CAPN9 3673/4885CASP3 3519/4885

“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.