SCHEMBL5236368

SCHEMBL5236368

Cc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@H]3F)c12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.50
TOP2A P11388 2/20 0.50
TOP2B Q02880 2/20 0.50
CACNA1F O60840 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
CACNA1D Q01668 1/20 0.48
KCNH2 Q12809 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL501142 1.00 GSK3B (0.50) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL4747724 0.93 GSK3B (0.50) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL14572392 0.91 GSK3B (0.53) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL5620413 0.89 GSK3B (0.53) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL4673103 0.89 GSK3B (0.53) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL8139161 0.89 GSK3B (0.53) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL5619172 0.89 GSK3B (0.53) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL4747701 0.86 GSK3B (0.49) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL4671582 0.86 STAT3 (0.46) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL500723 0.86 GSK3B (0.66) GSK3BTOP2ATOP2BCACNA1FPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990654-B1 SUBSTITUTED CYCLOBUTYLAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2007-11-14 EP disclosed
US-7186843-B2 potent antibacterial activity against various bacteria including drug-resistant strains DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2007-03-06 US disclosed
EP-0911328-B1 SUBSTITUTED AMINOCYCLOALKYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2006-02-08 EP disclosed
EP-1134219-B1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-06-15 EP disclosed
EP-1020459-B1 CIS-DISUBSTITUTED AMINOCYCLOALKYL-PYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-04-06 EP disclosed
US-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents DAIICHI PHARMACEUTICAL CO., LTD. 2004-10-21 US disclosed
US-6762181-B1 BROAD ANTIBACTERIAL ACTIVITY INCLUDING DRUG RESISTANT STAPHYLOCOCCUS AUREUS (MRSA), PNEUMOCOCCUS (PRSP) AND ENTEROCOCCUS (VRE); SAFELY USED IN CONJUCTION WITH NONSTEROIDAL ANTIINFLAMMATORY DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-07-13 US disclosed
EP-1182202-B1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI SEIYAKU CO (JP) 2004-06-02 EP disclosed
EP-0947513-B1 TRICYCLIC AMINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2004-05-19 EP disclosed
US-6586604-B2 Antimicrobial activity versus gram negative and gram positive bacteria DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-01 US disclosed
US-6384050-B1 GASTROINTESTINAL DISORDERS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1182202-A1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-27 EP disclosed
EP-1167344-A1 PROCESS FOR PRODUCING 5-AMINO-8- ALKYLQUINOLO NECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES IN THE PRODUCTION THEREOF DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-01-02 EP disclosed
US-20010037030-A1 Tricyclic amine derivatives TAKEMURA MAKOTO (JP) 2001-11-01 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-0990654-A1 SUBSTITUTED CYCLOBUTYLAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed
EP-0947513-A1 TRICYCLIC AMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
EP-0911328-A1 SUBSTITUTED AMINOCYCLOALKYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 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-20010037030-A1 Tricyclic amine derivatives Q6ZSR9, TOP2A, TOP1 GSK3B 2722/4885TOP2A 2/4885TOP2B 31/4885
US-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents Q6ZSR9, NAT1, NAT10 GSK3B 4658/4885TOP2A 184/4885TOP2B 506/4885

“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.