SCHEMBL5704363

SCHEMBL5704363

CCOC(=O)c1cn(C2CC2)c2c(F)c(Cl)c(F)c(N)c2c1=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.51
TOP2A P11388 1/20 0.51
TOP2B Q02880 1/20 0.51
CACNA1F O60840 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1D Q01668 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
ADRB2 P07550 1/20 0.47
STAT3 P40763 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
SCHEMBL15929884 0.93 TOP2A (0.48) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL9688633 0.92 CACNA1F (0.49) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL9585893 0.90 STAT3 (0.54) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL5704330 0.90 ADRB2 (0.49) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL1344898 0.90 STAT3 (0.54) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL7577114 0.89 ADRB2 (0.47) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL6880793 0.87 GSK3B (0.50) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL1344612 0.86 GSK3B (0.49) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL9133982 0.85 ADRB2 (0.50) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL5704411 0.83 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319656-B1 A NEW PROCESS FOR PREPARING A QUINOLONE-CARBOXYLIC ACID LYNCHEM CO LTD (CN) 2006-08-23 EP disclosed
US-6699992-B2 REACTING M-FLUOROACETOPHENONE COMPOUND WITH ALKYL CARBONATE; REACTING ESTER OBTAINED WITH ALKYL ORTHOFORMATE AND AMINE; CYCLIZATION IN BASE LYNCHEM CO., LTD. (CN) 2004-03-02 US disclosed
US-20030166936-A1 Process for preparing a quinolone-carboxylic acid LYNCHEM CO., LTD. (CN) 2003-09-04 US disclosed
EP-1319656-A1 A NEW PROCESS FOR PREPARING A QUINOLONE-CARBOXYLIC ACID Lynchem Co., Ltd. (CN) 2003-06-18 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-20030166936-A1 Process for preparing a quinolone-carboxylic acid CYP4B1, QPCT, NQO2 GSK3B 4162/4885TOP2A 601/4885TOP2B 630/4885

“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.