SCHEMBL6877382

SCHEMBL6877382

CC(=O)Nc1c(F)c(F)c(C)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.53
TOP2A P11388 4/20 0.51
TOP2B Q02880 4/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNH2 Q12809 2/20 0.47
CACNA1F O60840 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL9838696 0.91 GSK3B (0.58) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL7046605 0.88 GSK3B (0.51) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL6878164 0.87 GSK3B (0.40) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL7046482 0.87 GSK3B (0.40) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL7111565 0.86 ADRB2 (0.50) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL8111016 0.86 TOP2A (0.58) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL7576011 0.86 GSK3B (0.66) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL500723 0.81 GSK3B (0.66) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL5868648 0.80 GSK3B (0.60) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL12674061 0.80 TOP2A (0.67) GSK3BTOP2ATOP2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825353-B2 AN AMINE SUBSTITUENT AT THE 7-POSITION OF THE QUINOLONE-CARBOXYLIC ACID DERIVATIVE IS PRODUCED; BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-30 US disclosed
US-20030060631-A1 Process for producing quinolonecarboxlic acids and intermediates thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
EP-1258478-A1 PROCESS FOR PRODUCING QUINOLONECARBOXYLIC ACIDS AND INTERMEDIATES THEREOF DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
JP-2000247970-A PRODUCTION OF 5-AMINO-8-METHYL-7-PYPROLIDINYLQUINOLINE-3- CARBOXYLIC ACID DERIVATIVE AND INTERMEDIATE THEREFOR HOKURIKU SEIYAKU CO LTD 2000-09-12 JP 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-20030060631-A1 Process for producing quinolonecarboxlic acids and intermediates thereof NQO2, QPCT, QARS1 GSK3B 1080/4885TOP2A 747/4885TOP2B 785/4885

“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.