SCHEMBL6007708

SCHEMBL6007708

CC1COc2c(F)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.64
TOP2A P11388 3/20 0.60
TOP2B Q02880 3/20 0.60
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 1/20 0.54
AADAT Q8N5Z0 2/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALB P02768 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
POLB P06746 2/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50

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
SCHEMBL30306157 1.00 GSK3B (0.64) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL6007712 1.00 GSK3B (0.64) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL4747750 0.91 GSK3B (0.62) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL1345510 0.91 GSK3B (0.63) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL12131053 0.91 GSK3B (0.57) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL12160738 0.91 GSK3B (0.63) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9872970 0.89 GSK3B (0.60) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL26193679 0.88 GSK3B (0.59) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL26200350 0.88 GSK3B (0.62) GSK3BTOP2ATOP2BKDM4EKMT2A
SCHEMBL9873852 0.87 KDM4E (0.68) GSK3BTOP2ATOP2BKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924213-B1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2006-06-28 EP disclosed
EP-1020459-B1 CIS-DISUBSTITUTED AMINOCYCLOALKYL-PYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-04-06 EP disclosed
US-20020077345-A1 Cis-substituted aminocycloalkylpyrrolidine derivatives DAIICHI PHARMACEUTICAL CO., LTD. 2002-06-20 US disclosed
US-6191129-B1 MICROBIOCIDES, BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-02-20 US disclosed
US-6184388-B1 ANTIBACTERIAL AND ANTIMICROBIAL, QUINOLINE ANTIBIOTIC DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-02-06 US disclosed
US-6121285-A 5-AMINO-7-(4-(1-AMINOCYCLOPROPYL-3-FLUORO-1-PYRROLIDINYL)-6 -FLUORO-1-(2-FLUORO-1-CYCLOPROPYL)-1,4-DIHYDRO-8-METHOXY-4-OXOQUINOLINE-3 -CARBOXYLIC ACID, FOR EXAMPLE; ANTIMICROBIAL DRUGS WITH HIGH SAFETY DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-09-19 US disclosed
EP-1020459-A1 CIS-DISUBSTITUTED AMINOCYCLOALKYL-PYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed
EP-0924213-A1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-23 EP disclosed
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
EP-0172651-B1 Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1990-02-07 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-0172651-A1 Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-02-26 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 (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-20020077345-A1 Cis-substituted aminocycloalkylpyrrolidine derivatives Q6ZSR9, ARG1, ASNS GSK3B 4856/4885TOP2A 492/4885TOP2B 905/4885

“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.