SCHEMBL19729342

SCHEMBL19729342

CCOC(=O)c1cn(-c2cc(N)c(F)cc2COC(C)=O)c2c(F)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.45
TOP1 P11387 3/20 0.45
STAT3 P40763 2/20 0.45
KMT2A Q03164 1/20 0.43
TOP2B Q02880 3/20 0.42
HPGD P15428 7/20 0.40
KDM4E B2RXH2 6/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 6/20 0.39
ALDH1A1 P00352 5/20 0.39
PMP22 Q01453 1/20 0.38
BRD4 O60885 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
CYP2J2 P51589 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL19728744 0.93 TOP2A (0.44) TOP2ATOP1STAT3KMT2ATOP2B
SCHEMBL19728645 0.88 TOP2A (0.48) TOP2ATOP1STAT3TOP2BHPGD
SCHEMBL19728798 0.88 STAT3 (0.55) TOP1STAT3KMT2AHPGDKDM4E
SCHEMBL19728365 0.87 KDM4E (0.50) TOP2ASTAT3KMT2ATOP2BHPGD
SCHEMBL19729400 0.86 KDM4E (0.45) TOP2ATOP1STAT3KMT2ATOP2B
SCHEMBL19728362 0.86 KMT2A (0.42) TOP2ATOP1STAT3KMT2AHPGD
SCHEMBL19728803 0.86 KDM4E (0.43) TOP2ATOP1STAT3KMT2ATOP2B
SCHEMBL20912578 0.84 STAT3 (0.49) TOP1STAT3KMT2AHPGDKDM4E
SCHEMBL19728800 0.84 KDM4E (0.42) TOP2ATOP1STAT3KMT2ATOP2B
SCHEMBL19728353 0.83 STAT3 (0.47) TOP1STAT3KMT2AHPGDKDM4E

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 3571/4885STAT3 1884/4885

“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.