SCHEMBL2919782

SCHEMBL2919782

CCOC(=O)c1cn(-c2nc(NC)c(F)cc2F)c2c(C)c(F)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.51
HTT P42858 1/20 0.42
KMT2A Q03164 3/20 0.41
ADRB2 P07550 1/20 0.41
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 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
SCHEMBL2919185 0.93 STAT3 (0.49) STAT3HTTKMT2AADRB2KDM4E
SCHEMBL2917905 0.92 STAT3 (0.52) STAT3HTTKMT2AADRB2KDM4E
SCHEMBL2921621 0.91 STAT3 (0.49) STAT3HTTKMT2AADRB2KDM4E
SCHEMBL2919748 0.91 STAT3 (0.49) STAT3HTTKMT2AADRB2KDM4E
SCHEMBL2918401 0.87 CYP2C9 (0.47) HTTKDM4EHPGDCYP3A4CYP2C9
SCHEMBL7171849 0.85 STAT3 (0.55) STAT3HTTKMT2AADRB2KDM4E
SCHEMBL2925163 0.84 STAT3 (0.48) STAT3HTTKMT2AADRB2KDM4E
SCHEMBL2920532 0.83 STAT3 (0.47) STAT3HTTKMT2AADRB2KDM4E
SCHEMBL7008770 0.82 STAT3 (0.47) STAT3HTTKMT2AADRB2KDM4E
SCHEMBL2919164 0.82 STAT3 (0.48) STAT3HTTKMT2AADRB2KDM4E

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
EP-1813610-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMA CO LTD (JP) 2010-09-08 EP disclosed
US-7713997-B2 Pyridonecarboxylic acid derivatives or salts thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-20090149440-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD (JP) 2009-06-11 US disclosed
EP-1813610-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-08-01 EP 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-20090149440-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF SLC7A1, PLPBP, PYCR1 STAT3 593/4885HTT 4721/4885KMT2A 2732/4885

“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.