SCHEMBL19728792

SCHEMBL19728792

CCOC(=O)c1cn(-c2cc(N)c(F)cc2COC(C)=O)c2cc(N3CC[C@H](N)C3)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TOP1 P11387 3/20 0.44
TOP2B Q02880 5/20 0.42
PRKD3 O94806 1/20 0.41
PIM1 P11309 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
RPS6KA3 P51812 1/20 0.41
DYRK1A Q13627 1/20 0.41
PIM3 Q86V86 1/20 0.41
CSNK1G3 Q9Y6M4 1/20 0.41
KMT2A Q03164 2/20 0.39
TOP2A P11388 6/20 0.39

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
SCHEMBL19728789 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL20912612 0.92 TOP1 (0.53) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL20912609 0.92 TOP1 (0.53) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL19728785 0.88 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10TOP1
SCHEMBL19728365 0.88 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10TOP2B
SCHEMBL19728645 0.87 TOP2A (0.48) KDM4EALDH1A1HPGDTOP1TOP2B
SCHEMBL19728641 0.87 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10TOP2B
SCHEMBL19728640 0.86 KMT2A (0.50) KDM4EALDH1A1HPGDHSD17B10TOP2B
SCHEMBL19729392 0.86 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10TOP2B
SCHEMBL20912606 0.85 TOP2A (0.48) ALDH1A1TOP1TOP2BTOP2A

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 2 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
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 2371/4885ALDH1A1 960/4885HPGD 598/4885

“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.