Flupirtine

Flupirtine

SCHEMBL505823

CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.O=C(O)CC(=O)O

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 9/20 0.92
KCNQ3 O43525 7/20 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
HTR1A P08908 1/20 0.92
ADRA2A P08913 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
PTGS2 P35354 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 SCHEMBL505476 0.96 KCNQ2 (0.92) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
Flupirtine SCHEMBL505446 0.96 KCNQ2 (0.96) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
Flupirtine SCHEMBL3896230 0.96 KCNQ2 (1.00) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
Flupirtine SCHEMBL29400613 0.96 KCNQ2 (1.00) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
Flupirtine SCHEMBL15357226 0.96 KCNQ2 (1.00) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
Flupirtine SCHEMBL25009 0.96 KCNQ2 (1.00) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
Flupirtine SCHEMBL505702 0.95 KCNQ2 (0.90) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
Flupirtine SCHEMBL505437 0.95 KCNQ2 (0.90) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
Flupirtine SCHEMBL505911 0.95 KCNQ2 (0.94) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
Flupirtine SCHEMBL505608 0.95 KCNQ2 (0.94) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102351786-A Flupirtine malonate and preparation method thereof UNIV SOUTHEAST 2012-02-15 CN claimed
CN-102351786-A Flupirtine malonate and preparation method thereof UNIV SOUTHEAST 2012-02-15 CN disclosed
CN-102351786-A Flupirtine malonate and preparation method thereof UNIV SOUTHEAST 2012-02-15 CN disclosed
CN-102351786-A Flupirtine malonate and preparation method thereof UNIV SOUTHEAST 2012-02-15 CN disclosed
US-20120028930-A1 FLUPIRTINE SALTS AND POLYMORPHS BIONEVIA PHARMACEUTICALS INC. (US) 2012-02-02 US 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 (1 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-20120028930-A1 FLUPIRTINE SALTS AND POLYMORPHS SULT2A1, TACR1, NPSR1 KCNQ2 1153/4885KCNQ3 1107/4885CYP1A2 30/4885

“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.