SCHEMBL2912243

SCHEMBL2912243

CCNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4nc(N)c(F)cc4F)c3c2Br)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.62
CYP3A4 P08684 2/20 0.62
KCNH2 Q12809 2/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PMP22 Q01453 1/20 0.39
TOP2A P11388 7/20 0.39
TOP1 P11387 5/20 0.39
TOP2B Q02880 3/20 0.39
EPHA2 P29317 1/20 0.39
FLT4 P35916 1/20 0.39

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
Maleic Acid SCHEMBL2922594 0.96 CYP2C9 (0.58) CYP2C9CYP3A4KCNH2KDM4EALDH1A1
Fumaric Acid SCHEMBL2922599 0.96 CYP2C9 (0.58) CYP2C9CYP3A4KCNH2KDM4EALDH1A1
SCHEMBL2921570 0.91 CYP3A4 (0.65) CYP2C9CYP3A4KCNH2KDM4EALDH1A1
SCHEMBL6949689 0.91 CYP2C9 (0.51) CYP2C9CYP3A4KCNH2KDM4EALDH1A1
SCHEMBL6281366 0.90 CYP2C9 (0.77) CYP2C9CYP3A4KCNH2KDM4EALDH1A1
SCHEMBL2918028 0.89 CYP3A4 (0.62) CYP2C9CYP3A4KCNH2KDM4EALDH1A1
SCHEMBL2918934 0.89 CYP3A4 (0.62) CYP2C9CYP3A4KDM4EALDH1A1HPGD
SCHEMBL27462343 0.89 CYP3A4 (0.51) CYP2C9CYP3A4KCNH2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2923148 0.88 CYP3A4 (0.62) CYP2C9CYP3A4KCNH2KDM4EALDH1A1
SCHEMBL7851193 0.87 CYP3A4 (0.69) CYP2C9CYP3A4KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858625-B1 Quinolinecarboxylic acid derivative or salts thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 US claimed
EP-1193266-B1 QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF WAKUNAGA PHARMA CO LTD (JP) 2003-08-27 EP claimed
CN-1358183-A Quinolinecarboxylic acid derivative or salts thereof WAKUZAGA PHARMACEUTICAL CO LTD (JP) 2002-07-10 CN claimed
EP-1193266-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2002-04-03 EP 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
US-6858625-B1 Quinolinecarboxylic acid derivative or salts thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 US disclosed
US-6858625-B1 Quinolinecarboxylic acid derivative or salts thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 US disclosed
CN-1157389-C Quinoline carboxylic acid derivative or salt thereof ������ҩ��ʽ���� 2004-07-14 CN disclosed
CN-1157389-C Quinoline carboxylic acid derivative or salt thereof ������ҩ��ʽ���� 2004-07-14 CN disclosed
EP-1193266-B1 QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF WAKUNAGA PHARMA CO LTD (JP) 2003-08-27 EP disclosed
EP-1193266-B1 QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF WAKUNAGA PHARMA CO LTD (JP) 2003-08-27 EP disclosed
EP-1193266-A4 QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF WAKUNAGA PHARMA CO LTD (JP) 2002-08-14 EP disclosed
CN-1358183-A Quinolinecarboxylic acid derivative or salts thereof WAKUZAGA PHARMACEUTICAL CO LTD (JP) 2002-07-10 CN disclosed
CN-1358183-A Quinolinecarboxylic acid derivative or salts thereof WAKUZAGA PHARMACEUTICAL CO LTD (JP) 2002-07-10 CN disclosed
EP-1193266-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2002-04-03 EP disclosed
EP-1193266-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2002-04-03 EP disclosed
WO-2001002390-A1 QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2001-01-11 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-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.