SCHEMBL19728645

SCHEMBL19728645

CCOC(=O)c1cn(-c2cc(N)c(F)cc2COC(C)=O)c2c(F)c(N3CCC(N)C3)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 14/20 0.48
TOP1 P11387 3/20 0.48
TOP2B Q02880 10/20 0.47
STAT3 P40763 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL19728770 0.94 ALDH1A1 (0.49) TOP2ATOP1TOP2BALDH1A1POLB
SCHEMBL19728348 0.94 TOP2A (0.46) TOP2ATOP1TOP2BALDH1A1POLB
SCHEMBL20912606 0.94 TOP2A (0.48) TOP2ATOP1TOP2BALDH1A1POLB
SCHEMBL19729400 0.88 KDM4E (0.45) TOP2ATOP1TOP2BSTAT3KDM4E
SCHEMBL19729342 0.88 TOP2A (0.45) TOP2ATOP1TOP2BSTAT3KDM4E
SCHEMBL19728803 0.87 KDM4E (0.43) TOP2ATOP1TOP2BSTAT3KDM4E
SCHEMBL19728792 0.87 KDM4E (0.47) TOP2ATOP1TOP2BKDM4EHPGD
SCHEMBL19728789 0.87 KDM4E (0.47) TOP2ATOP1TOP2BKDM4EHPGD
SCHEMBL19728798 0.86 STAT3 (0.55) TOP1STAT3KDM4EHPGDCYP2C19
SCHEMBL19728800 0.86 KDM4E (0.42) TOP2ATOP1TOP2BSTAT3KDM4E

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-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2019-09-12 US disclosed
US-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2019-09-12 US disclosed
EP-3473616-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2019-04-24 EP disclosed
WO-2017217441-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF 湧永製薬株式会社 2017-12-21 WO 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-20190276407-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF CTR9, PYCR1, ACAD9 TOP2A 4246/4885TOP1 3571/4885TOP2B 4085/4885

“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.