SCHEMBL2924849

SCHEMBL2924849

CCNc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(NC(C)C)C4)c(C)c32)c(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.48
CYP3A4 P08684 2/20 0.48
KCNH2 Q12809 4/20 0.45
KDM4E B2RXH2 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 4/20 0.38
PMP22 Q01453 1/20 0.38
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
XBP1 P17861 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 1/20 0.36
TOP2A P11388 3/20 0.36

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
SCHEMBL2922166 0.91 CYP3A4 (0.50) CYP2C9CYP3A4KCNH2KDM4EHPGD
SCHEMBL2915100 0.87 CYP3A4 (0.63) CYP2C9CYP3A4KCNH2KDM4EHPGD
Hydrochloric Acid SCHEMBL2922393 0.87 CYP3A4 (0.62) CYP2C9CYP3A4KCNH2KDM4EHPGD
SCHEMBL2922324 0.85 CYP3A4 (0.60) CYP2C9CYP3A4KCNH2KDM4EHPGD
Maleic Acid SCHEMBL2924695 0.84 CYP3A4 (0.59) CYP2C9CYP3A4KCNH2KDM4EHPGD
Fumaric Acid SCHEMBL2924699 0.84 CYP3A4 (0.59) CYP2C9CYP3A4KCNH2KDM4EHPGD
SCHEMBL2921501 0.83 CYP3A4 (0.62) CYP2C9CYP3A4KCNH2KDM4EHPGD
SCHEMBL2914723 0.83 CYP3A4 (0.49) CYP2C9CYP3A4KCNH2KDM4EHPGD
SCHEMBL2918038 0.83 CYP3A4 (0.62) CYP2C9CYP3A4KCNH2KDM4EHPGD
SCHEMBL2914589 0.82 CYP2C9 (0.45) CYP2C9CYP3A4KCNH2KDM4EHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713997-B2 Pyridonecarboxylic acid derivatives or salts thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2010-05-11 US claimed
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 CYP2C9 331/4885CYP3A4 863/4885KCNH2 3029/4885

“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.