SCHEMBL19728811

SCHEMBL19728811

CCOC(=O)c1cn(-c2cc(N)c(F)cc2CO)c2c(OC)c(N3CC(N)C3)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.42
STAT3 P40763 1/20 0.42
KCNH2 Q12809 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TOP2A P11388 6/20 0.39
TOP2B Q02880 4/20 0.39
POLB P06746 1/20 0.38
PRKD3 O94806 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 1/20 0.38
CLK2 P49760 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL19728370 0.95 STAT3 (0.42) TOP1STAT3KCNH2KDM4EHPGD
SCHEMBL19728835 0.93 TOP1 (0.43) TOP1STAT3KCNH2KDM4EHPGD
SCHEMBL19729434 0.91 TOP1 (0.51) TOP1KCNH2KDM4EHPGDCYP3A4
SCHEMBL19729429 0.87 STAT3 (0.49) TOP1STAT3KDM4EHPGDCYP2C19
SCHEMBL19728720 0.85 KCNH2 (0.50) TOP1KCNH2KDM4EHPGDCYP3A4
SCHEMBL19728839 0.83 TOP1 (0.51) TOP1KCNH2KDM4EHPGDCYP2C19
SCHEMBL19728616 0.82 KDM4E (0.41) TOP1STAT3KCNH2KDM4EHPGD
SCHEMBL19728604 0.82 KDM4E (0.41) TOP1STAT3KCNH2KDM4EHPGD
SCHEMBL19729386 0.82 CYP3A4 (0.51) TOP1KCNH2CYP3A4CYP2C9TOP2A
SCHEMBL7010952 0.82 CYP3A4 (0.54) TOP1KCNH2KDM4EHPGDCYP3A4

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 TOP1 3571/4885STAT3 1884/4885KCNH2 710/4885

“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.