Flupirtine

Flupirtine

SCHEMBL505557

CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.CS(=O)(=O)O

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of Flupirtine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.92
ADRA2A known ✓ P08913 1/20 0.92
KCNQ2 O43526 9/20 0.92
KCNQ3 O43525 7/20 0.92
PTGS2 P35354 2/20 0.92
CYP1A2 P05177 2/20 0.92
CYP2C9 P11712 2/20 0.92
CYP2C19 P33261 2/20 0.92
ABCB11 O95342 1/20 0.92
ESR1 P03372 1/20 0.92
CYP3A4 P08684 1/20 0.92
ADORA3 P0DMS8 1/20 0.92
CYP2D6 P10635 1/20 0.92
ALOX15 P16050 1/20 0.92
NFKB1 P19838 1/20 0.92
TBXA2R P21731 1/20 0.92
MAPK1 P28482 1/20 0.92
CASP1 P29466 1/20 0.92
SHMT2 P34897 1/20 0.92
OPRK1 P41145 1/20 0.92

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
Flupirtine SCHEMBL505375 0.98 KCNQ2 (0.92) KCNQ2KCNQ3PTGS2CYP1A2CYP2C9
Flupirtine SCHEMBL25009 0.96 KCNQ2 (1.00) KCNQ2KCNQ3PTGS2CYP1A2CYP2C9
Flupirtine SCHEMBL3896230 0.96 KCNQ2 (1.00) KCNQ2KCNQ3PTGS2CYP1A2CYP2C9
Flupirtine SCHEMBL29400613 0.96 KCNQ2 (1.00) KCNQ2KCNQ3PTGS2CYP1A2CYP2C9
Flupirtine SCHEMBL15357226 0.96 KCNQ2 (1.00) KCNQ2KCNQ3PTGS2CYP1A2CYP2C9
Flupirtine SCHEMBL505456 0.95 KCNQ2 (0.86) KCNQ2KCNQ3PTGS2CYP1A2CYP2C9
Flupirtine SCHEMBL505958 0.95 KCNQ2 (0.86) KCNQ2KCNQ3PTGS2CYP1A2CYP2C9
Flupirtine SCHEMBL505535 0.95 KCNQ2 (0.98) KCNQ2KCNQ3PTGS2CYP1A2CYP2C9
Flupirtine SCHEMBL505847 0.95 KCNQ2 (0.98) KCNQ2KCNQ3PTGS2CYP1A2CYP2C9
Flupirtine SCHEMBL28262990 0.95 KCNQ2 (0.98) KCNQ2KCNQ3PTGS2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350009-B1 SULFONATE SALTS OF FLUPIRTINE TEVA GMBH (DE) 2016-03-16 EP claimed
CN-103037848-A An injectable dosage form of flupirtine AWD PHARMA GMBH & CO KG 2013-04-10 CN claimed
US-8222282-B2 Sulfonate salts of 2-amino-3-carbethoxyamino-6-(4-fluoro-benzylamino)-pyridine TEVA PHARMACEUTICALS USA, INC. (US) 2012-07-17 US claimed
EP-2350009-A1 SULFONATE SALTS OF FLUPIRTINE AWD.pharma GmbH & Co.KG (DE) 2011-08-03 EP claimed
US-20090318506-A1 Sulfonate salts of 2-amino-3-carbethoxyamino-6-(4-fluoro-benzylamino)-pyridine AWD. PHARMA GMBH & CO. KG (DE) 2009-12-24 US claimed
WO-2009152142-A1 SULFONATE SALTS OF FLUPIRTINE AWD. PHARMA GMBH & CO. KG (DE) 2009-12-17 WO claimed
US-20130096163-A1 Injectable dosage form of flupirtine AWD.PHARMA GMBH & CO. KG (DE) 2013-04-18 US disclosed
EP-2579856-A1 AN INJECTABLE DOSAGE FORM OF FLUPIRTINE AWD.pharma GmbH & Co.KG (DE) 2013-04-17 EP disclosed
CN-103037848-A An injectable dosage form of flupirtine AWD PHARMA GMBH & CO KG 2013-04-10 CN disclosed
US-20120028930-A1 FLUPIRTINE SALTS AND POLYMORPHS BIONEVIA PHARMACEUTICALS INC. (US) 2012-02-02 US disclosed
WO-2011157719-A1 AN INJECTABLE DOSAGE FORM OF FLUPIRTINE AWD.PHARMA GMBH & CO. KG (DE) 2011-12-22 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 (2 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-20090318506-A1 Sulfonate salts of 2-amino-3-carbethoxyamino-6-(4-fluoro-benzylamino)-pyridine SSTR3, NPSR1, SSTR2 HTR1A 85/4885ADRA2A 22/4885KCNQ2 721/4885
US-20120028930-A1 FLUPIRTINE SALTS AND POLYMORPHS SULT2A1, TACR1, NPSR1 HTR1A 154/4885ADRA2A 15/4885KCNQ2 1153/4885

“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.