SCHEMBL2922005

SCHEMBL2922005

CCOC(=O)c1cn(-c2nc(N)c(F)cc2C)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.41
TBK1 Q9UHD2 1/20 0.39
ADRB2 P07550 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIM1 P11309 1/20 0.35

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
SCHEMBL10018778 0.94 CYP3A4 (0.56) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL2918965 0.89 STAT3 (0.50) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL2917096 0.88 CYP2C9 (0.60) CYP3A4CYP2C9KDM4EHPGDALDH1A1
SCHEMBL7172797 0.81 STAT3 (0.50) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL2919185 0.81 STAT3 (0.49) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL7007759 0.80 STAT3 (0.52) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL7857499 0.80 STAT3 (0.50) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL29083029 0.80 CYP3A4 (0.70) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL30593847 0.80 CYP3A4 (0.70) STAT3CYP3A4CYP2C9KDM4EHPGD
SCHEMBL7006573 0.79 STAT3 (0.61) STAT3KDM4EHPGDKMT2ACYP2C19

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 12 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
EP-0952151-B1 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
EP-0911327-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2001-12-05 EP disclosed
US-6156903-A Pyridonecarboxylic acid derivatives or their salts, and antibacterial agents containing the same as their effective components WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
US-6133284-A EXCELLENT BACTERICIDAL PROPERTIES AND ORAL ABSORPTION; INFECTIONS FROM GRAMNEGATIVE AND -POSITIVE BACTERIA; INTESTINAL ABSORPTION, METABOLIC STABILITY; SIDE EFFECT REDUCTION; NONPHOTOTOXICITY AND NONCYTOTOXICITY WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
EP-0992501-A2 Pyridonecarboxylic acid derivatives as antibacterial agents WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
US-5998436-A Pyridonecarboxylic acid derivatives or their salts and antibacterial agent comprising the same as the active ingredient WAKUNAGA PHARMACEUTICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0952151-A2 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-10-27 EP disclosed
EP-0911327-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 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 593/4885CYP3A4 863/4885CYP2C9 331/4885

“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.