SCHEMBL19729414

SCHEMBL19729414

CCNC1CN(c2c(F)c(C)c3c(=O)c(C(=O)OCC)cn(-c4cc(N)c(F)cc4CO)c3c2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.39
HTT P42858 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CMA1 P23946 2/20 0.31
SLC2A1 P11166 1/20 0.31
ADRB2 P07550 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HSD17B10 Q99714 2/20 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
SCHEMBL19729346 0.95 STAT3 (0.38) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL19728704 0.94 STAT3 (0.39) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL19729415 0.92 CYP3A4 (0.37) KDM4EHPGDKMT2ACYP3A4CYP2C9
SCHEMBL19728820 0.92 STAT3 (0.41) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL19728374 0.92 STAT3 (0.38) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL19728814 0.91 STAT3 (0.41) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL19728369 0.90 STAT3 (0.37) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL19728705 0.88 STAT3 (0.40) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL19729360 0.88 STAT3 (0.39) STAT3HTTKDM4EHPGDCYP2C19
SCHEMBL19729428 0.88 ALDH1A1 (0.40) STAT3HTTALDH1A1

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.