SCHEMBL19729465

SCHEMBL19729465

CCOC(=O)c1cn(-c2cc(N)c(F)cc2CO)c2c(Br)c(F)c(F)c(C)c2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.32
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADRB2 P07550 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PIM1 P11309 1/20 0.30

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
SCHEMBL19728865 0.93 STAT3 (0.45) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL20912569 0.93 STAT3 (0.47) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19729469 0.91 STAT3 (0.42) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19728801 0.89 STAT3 (0.45) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19728388 0.89 STAT3 (0.42) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19728378 0.88 STAT3 (0.41) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19729474 0.86 STAT3 (0.40) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19728864 0.86 STAT3 (0.45) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19728806 0.84 STAT3 (0.44) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL20921515 0.84 STAT3 (0.42) STAT3HTTKDM4EALDH1A1CYP1A2

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 STAT3 1884/4885HTT 3931/4885KDM4E 2371/4885

“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.