Flupirtine

Flupirtine

SCHEMBL505354

CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

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
KCNQ2 O43526 10/20 0.74
KCNQ3 O43525 8/20 0.74
ABCB11 O95342 1/20 0.74
ESR1 P03372 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
HTR1A P08908 1/20 0.74
ADRA2A P08913 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
ALOX15 P16050 1/20 0.74
NFKB1 P19838 1/20 0.74
TBXA2R P21731 1/20 0.74
MAPK1 P28482 1/20 0.74
CASP1 P29466 1/20 0.74
CYP2C19 P33261 1/20 0.74
SHMT2 P34897 1/20 0.74
PTGS2 P35354 1/20 0.74
OPRK1 P41145 1/20 0.74

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 SCHEMBL505513 0.91 KCNQ2 (0.86) KCNQ2KCNQ3ABCB11ESR1CYP1A2
Flupirtine SCHEMBL505322 0.87 KCNQ2 (0.86) KCNQ2KCNQ3ABCB11ESR1CYP1A2
Flupirtine SCHEMBL505635 0.86 KCNQ2 (0.88) KCNQ2KCNQ3ABCB11ESR1CYP1A2
Flupirtine SCHEMBL505446 0.86 KCNQ2 (0.96) KCNQ2KCNQ3ABCB11ESR1CYP1A2
Flupirtine SCHEMBL25009 0.86 KCNQ2 (1.00) KCNQ2KCNQ3ABCB11ESR1CYP1A2
Flupirtine SCHEMBL29400613 0.86 KCNQ2 (1.00) KCNQ2KCNQ3ABCB11ESR1CYP1A2
Flupirtine SCHEMBL15357226 0.86 KCNQ2 (1.00) KCNQ2KCNQ3ABCB11ESR1CYP1A2
Flupirtine SCHEMBL3896230 0.86 KCNQ2 (1.00) KCNQ2KCNQ3ABCB11ESR1CYP1A2
Flupirtine SCHEMBL505437 0.85 KCNQ2 (0.90) KCNQ2KCNQ3ABCB11ESR1CYP1A2
Flupirtine SCHEMBL505911 0.85 KCNQ2 (0.94) KCNQ2KCNQ3ABCB11ESR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346826-A2 CARBOXYLIC ACID SALTS OF 2-AMINO-3-CARBETHOXYAMINO-6-(4-FLUORO-BENZYLAMINO)-PYRIDINE AWD.pharma GmbH & Co.KG (DE) 2011-07-27 EP claimed
WO-2009152168-A2 CARBOXYLIC ACID SALTS OF 2-AMINO-3-CARBETHOXYAMINO-6-(4-FLUORO-BENZYLAMINO)-PYRIDINE AWD. PHARMA GMBH & CO. KG (DE) 2009-12-17 WO claimed
US-20090306150-A1 CARBOXYLIC ACID SALTS OF 2-AMINO-3-CARBETHOXYAMINO-6-(4-FLUORO-BENZYLAMINO)-PYRIDINE AWD. PHARMA GMBH & CO. KG (DE) 2009-12-10 US claimed
EP-0160865-B1 2-AMINO-3-ETHOXYCARBONYLAMINO-6-(P-FLUORO-BENZYLAMINO)-PYRIDINE-GLUCONATE AND PHARMACEUTICAL COMPOUNDS CONTAINING THIS PRODUCT Degussa Aktiengesellschaft (DE) 1988-04-20 EP claimed
US-4673666-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-06-16 US claimed
EP-0160865-A2 2-Amino-3-ethoxycarbonylamino-6-(p-fluoro-benzylamino)-pyridine-gluconate and pharmaceutical compounds containing this product Degussa Aktiengesellschaft (DE) 1985-11-13 EP claimed
EP-2350009-B1 SULFONATE SALTS OF FLUPIRTINE TEVA GMBH (DE) 2016-03-16 EP disclosed
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
US-8222282-B2 Sulfonate salts of 2-amino-3-carbethoxyamino-6-(4-fluoro-benzylamino)-pyridine TEVA PHARMACEUTICALS USA, INC. (US) 2012-07-17 US disclosed
US-8183267-B2 Carboxylic acid salts of 2-amino-3-carbethoxyamino-6-(4-fluoro-benzylamino)-pyridine AWD. PHARMA GMBH & CO. KG (DE) 2012-05-22 US 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
EP-0160865-B1 2-AMINO-3-ETHOXYCARBONYLAMINO-6-(P-FLUORO-BENZYLAMINO)-PYRIDINE-GLUCONATE AND PHARMACEUTICAL COMPOUNDS CONTAINING THIS PRODUCT Degussa Aktiengesellschaft (DE) 1988-04-20 EP disclosed
US-4673666-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-06-16 US disclosed
US-4673666-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-06-16 US disclosed
US-4673666-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-06-16 US disclosed
EP-0160865-A2 2-Amino-3-ethoxycarbonylamino-6-(p-fluoro-benzylamino)-pyridine-gluconate and pharmaceutical compounds containing this product Degussa Aktiengesellschaft (DE) 1985-11-13 EP disclosed
EP-0160865-A2 2-Amino-3-ethoxycarbonylamino-6-(p-fluoro-benzylamino)-pyridine-gluconate and pharmaceutical compounds containing this product Degussa Aktiengesellschaft (DE) 1985-11-13 EP disclosed
EP-0160865-A2 2-Amino-3-ethoxycarbonylamino-6-(p-fluoro-benzylamino)-pyridine-gluconate and pharmaceutical compounds containing this product Degussa Aktiengesellschaft (DE) 1985-11-13 EP 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-20090306150-A1 CARBOXYLIC ACID SALTS OF 2-AMINO-3-CARBETHOXYAMINO-6-(4-FLUORO-BENZYLAMINO)-PYRIDINE HRH3, MC2R, HRH2 KCNQ2 1285/4885KCNQ3 1762/4885ABCB11 1835/4885
US-20120028930-A1 FLUPIRTINE SALTS AND POLYMORPHS SULT2A1, TACR1, NPSR1 KCNQ2 1153/4885KCNQ3 1107/4885ABCB11 464/4885

“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.