SCHEMBL5142702

SCHEMBL5142702

O=C(O)c1cn(C2CC2)c2nc(F)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.58
TOP2A P11388 7/20 0.55
TOP2B Q02880 7/20 0.55
CHRM2 P08172 2/20 0.53
DRD1 P21728 1/20 0.53
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
LMNA P02545 3/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
POLB P06746 1/20 0.50
CHRM1 P11229 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
ABCC4 O15439 1/20 0.49
MAPT P10636 1/20 0.49
DHFR P00374 1/20 0.46

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
SCHEMBL9437304 0.90 TOP2A (0.58) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL500472 0.88 DPP4 (0.57) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL10876232 0.88 DPP4 (0.59) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL10330767 0.88 TOP2A (0.59) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL9279260 0.88 DPP4 (0.55) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL17537044 0.85 DPP4 (0.56) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL10413901 0.84 DPP4 (0.55) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL14472239 0.84 DPP4 (0.56) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL13014061 0.84 DPP4 (0.54) DPP4TOP2ATOP2BCHRM2DRD1
SCHEMBL14143514 0.84 DPP4 (0.54) DPP4TOP2ATOP2BCHRM2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4663457-A BACTERICIDES WARNER-LAMBERT COMPANY (US) 1987-05-05 US claimed
US-7304050-B2 Antibacterial agents PFIZER INC. (US) 2007-12-04 US disclosed
US-7098219-B2 Quinolone derivatives WOCKHART LIMITED (IN) 2006-08-29 US disclosed
EP-1670793-A1 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2006-06-21 EP disclosed
US-7012144-B2 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-14 US disclosed
US-20050070523-A1 Antibacterial agents HAGEN SUSAN (US) 2005-03-31 US disclosed
WO-2005026161-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
US-20030130302-A1 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-07-10 US disclosed
US-20020177559-A1 Quinolone derivatives WOCKHARDT LIMITED 2002-11-28 US disclosed
US-5631266-A BACTERICIDES EFFECTIVE AGAINST STAPHYLOCOCCUS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-05-20 US disclosed
US-5498615-A BROAD SPECTRUM ANTIBACTERIALS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-03-12 US disclosed
WO-1994025464-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-11-10 WO disclosed
EP-0622367-A1 Novel quinolone carboxylic acid derivatives and process for preparing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-11-02 EP disclosed
EP-0153828-B1 1-CYCLOPROPYL-1, 4-DIHYDRO-6-FLUORO-4-OXO-1, 8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS; THEIR DERIVATIVES AND A PROCESS FOR PREPARING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1990-12-27 EP disclosed
US-4663457-A BACTERICIDES WARNER-LAMBERT COMPANY (US) 1987-05-05 US disclosed
EP-0153828-A2 1-cyclopropyl-1, 4-dihydro-6-fluoro-4-oxo-1, 8-naphthyridine-3-carboxylic acids; their derivatives and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-09-04 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-20050070523-A1 Antibacterial agents MRPL21, ABCB11, NQO1 DPP4 1617/4885TOP2A 28/4885TOP2B 54/4885
US-20030130302-A1 Quinolone carboxylic acid derivatives CYCS, CBR3, HCCS DPP4 1704/4885TOP2A 257/4885TOP2B 328/4885
US-20020177559-A1 Quinolone derivatives ABCB11, ABCB1, ABCG2 DPP4 819/4885TOP2A 293/4885TOP2B 372/4885

“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.