SCHEMBL19729469

SCHEMBL19729469

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB2 P07550 1/20 0.33
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
LMNA P02545 1/20 0.32
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
HPGD P15428 3/20 0.31
HSD17B10 Q99714 3/20 0.31
PKM P14618 1/20 0.31
MAP2K1 Q02750 1/20 0.31
PIM1 P11309 1/20 0.31
IRAK1 P51617 1/20 0.31
CAMK2B Q13554 1/20 0.31
CAMK2G Q13555 1/20 0.31

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
SCHEMBL19729465 0.91 STAT3 (0.45) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19729468 0.91 STAT3 (0.41) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19728802 0.91 STAT3 (0.41) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19728823 0.90 TOP1 (0.35) STAT3HTTALDH1A1PIM1
SCHEMBL20912569 0.88 STAT3 (0.47) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19729297 0.87
SCHEMBL19728865 0.86 STAT3 (0.45) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19729474 0.86 STAT3 (0.40) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19728807 0.86 STAT3 (0.43) STAT3HTTKDM4EALDH1A1CYP1A2
SCHEMBL19729470 0.86 HTT (0.33) STAT3HTT

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.