SCHEMBL500863

SCHEMBL500863

COc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.64
CACNA1F O60840 1/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
CACNA1D Q01668 1/20 0.60
KCNH2 Q12809 1/20 0.60
CACNA1S Q13698 1/20 0.60
CACNA1C Q13936 1/20 0.60
TOP2A P11388 2/20 0.59
TOP2B Q02880 2/20 0.59
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL12131079 0.96 GSK3B (0.62) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL1344616 0.91 GSK3B (0.54) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL1345033 0.90 GSK3B (0.59) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL13581385 0.88 GSK3B (0.59) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL1343006 0.88 GSK3B (0.65) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL3808002 0.87 GSK3B (0.53) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9689537 0.87 GSK3B (0.68) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL1986275 0.87 GSK3B (0.60) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL502617 0.87 GSK3B (0.51) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL5783269 0.87 GSK3B (0.51) GSK3BCACNA1FPOLBMAPK1CACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065164-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED 2005-03-24 US claimed
EP-1453824-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS Wockhardt Limited (IN) 2004-09-08 EP claimed
US-20030216568-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments WOCKHARDT LIMITED 2003-11-20 US claimed
WO-2003050107-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS WOCKHARDT LIMITED (IN) 2003-06-19 WO claimed
US-20030096812-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED 2003-05-22 US claimed
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2383271-B1 Aminoquinolones as GSK-3 Inhibitors KYORIN SEIYAKU KK (JP) 2013-07-10 EP disclosed
EP-1666477-B1 7-(4-SUBSTITUTED 3- CYCLOPROPYLAMINOMETHYL-1- PYRROLIDINYL) Q UINOLONECARBOXYLIC ACID DERIVATIVE KYORIN SEIYAKU KK (JP) 2013-07-03 EP disclosed
US-8106072-B2 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US disclosed
US-5043450-A Bactericides KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-27 US disclosed
EP-0226961-B1 5-AMINO AND 5-HYDROXY-6,8-DIFLUOROQUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-06-12 EP disclosed
US-4980470-A 8-alkoxyquinolonecarboxylic acid and salts thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-12-25 US disclosed
US-4977154-A 7-PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1990-12-11 US disclosed
EP-0342675-A2 Novel quinolonecarboxylic acid derivatives Chugai Seiyaku Kabushiki Kaisha (JP) 1989-11-23 EP disclosed
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US disclosed
EP-0230295-A2 8-alkoxyquinolonecarboxylic acid and salts thereof excellent in the selective toxicity and process of preparing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 EP disclosed
EP-0226961-A1 5-Amino and 5-hydroxy-6,8-difluoroquinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-07-01 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 (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-20030096812-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments ABCG2, CYP3A7, UGT1A7 GSK3B 845/4885CACNA1F 4356/4885POLB 464/4885
US-20050065164-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments ABCG2, CYP3A7, UGT1A7 GSK3B 845/4885CACNA1F 4356/4885POLB 464/4885
US-20030216568-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments ABCG2, CYP3A7, UGT1A7 GSK3B 845/4885CACNA1F 4356/4885POLB 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.