SCHEMBL19728604

SCHEMBL19728604

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
CYP2C19 P33261 1/20 0.41
STAT3 P40763 2/20 0.40
ADRB2 P07550 1/20 0.37
TOP2A P11388 6/20 0.37
TOP1 P11387 4/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TOP2B Q02880 3/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL19728621 0.92 TOP1 (0.34) KDM4EHPGDCYP2C19STAT3TOP2A
SCHEMBL19728616 0.91 KDM4E (0.41) KDM4EHPGDCYP2C19STAT3ADRB2
SCHEMBL19728835 0.90 TOP1 (0.43) KDM4EHPGDCYP2C19STAT3ADRB2
SCHEMBL19728610 0.90 TOP2A (0.43) TOP2ATOP1TOP2BKCNH2
SCHEMBL19729474 0.89 STAT3 (0.40) KDM4EHPGDCYP2C19STAT3ADRB2
SCHEMBL19728750 0.85 STAT3 (0.38) KDM4EHPGDCYP2C19STAT3ADRB2
SCHEMBL19729400 0.85 KDM4E (0.45) KDM4EHPGDCYP2C19STAT3ADRB2
SCHEMBL19728719 0.84 STAT3 (0.38) KDM4EHPGDCYP2C19STAT3ADRB2
SCHEMBL19728736 0.84 STAT3 (0.38) KDM4EHPGDCYP2C19STAT3ADRB2
SCHEMBL19728716 0.84 TOP2A (0.42) KDM4EHPGDTOP2ATOP1ALDH1A1

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 KDM4E 2371/4885HPGD 598/4885CYP2C19 819/4885

“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.