SCHEMBL3549628

SCHEMBL3549628

CCOC(=O)c1cn(C2CC2)c2c(C#N)c(F)c(F)cc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.63
ADRB2 P07550 1/20 0.59
TOP2A P11388 5/20 0.46
TOP2B Q02880 5/20 0.46
KCNH2 Q12809 4/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL7978648 0.96 STAT3 (0.59) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL5704368 0.90 STAT3 (0.56) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL30863948 0.90 STAT3 (0.56) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL9186289 0.90 ADRB2 (0.59) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL29492858 0.88 ADRB2 (0.68) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL2844967 0.88 ADRB2 (0.68) STAT3ADRB2TOP2ATOP2BKCNH2
SCHEMBL2670429 0.88 STAT3 (0.61) STAT3ADRB2KMT2AKDM4EALDH1A1
SCHEMBL3551375 0.88 STAT3 (0.61) STAT3ADRB2KMT2AKDM4EALDH1A1
SCHEMBL13341767 0.88 STAT3 (0.61) STAT3ADRB2KMT2AKDM4EALDH1A1
SCHEMBL10471225 0.87 STAT3 (0.53) STAT3ADRB2TOP2ATOP2BKCNH2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107987074-B Synthetic method of prafloxacin 浙江美诺华药物化学有限公司 2020-12-29 CN disclosed
EP-1669354-B1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-1669354-B1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
EP-1669354-A1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 EP disclosed
US-6432948-B1 ANTIULCER AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
EP-1215202-A1 Intermediates for the preparation of possibly substituted 8-cyano-1-cyclopropyl-7-(2,8-diazabicyclo-(4.3.0)-nonan-8-yl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolin carboxylic acids and their derivatives BAYER AG (DE) 2002-06-19 EP disclosed
US-6323213-B1 ANTIBIOTICS, BACTERICIDES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2001-11-27 US disclosed
US-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders PETERSEN UWE (DE) 2001-11-01 US disclosed
US-6288081-B1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolone carboxylic acid and naphthyridone carboxylic acid derivatives for treating Helicobacter pylori infections and the gastroduodenal diseases associated therewith BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed
US-6278013-B1 AS CHEMICAL INTERMEDIATES FOR PREPARING QUINOLINECARBOXYLIC ACID DERIVATIVE ANTIBIOTICS USED IN VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed
US-6229017-B1 BY ACYLATION AND CYCLIZATION OF A BENZOYL CHLORIDE OR NICOTINOYL CHLORIDE IN THE PRESENCE OF A NON-POLAR TO SLIGHTLY POLAR SOLVENT WITHOUT SEPARATION OF CHEMICAL INTERMEDIATES DURING PROCESS BAYER AKTIENGESELLSCHAFT (DE) 2001-05-08 US disclosed
US-6133260-A Use of 7-(2-oxa-5,8-diazabicyclo[4.3.0]non-8-yl)-quinolone carboxylic acid and naphthyridon carboxylic acid derivatives for the treatment of Helicobacter pylori infections and associated gastroduodenal diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
EP-0882049-A1 POSSIBLY SUBSTITUTED 8-CYANO-1-CYCLOPROPYL-7-(2,8-DIAZABICYCLO- 4.3.0]-NONAN-8-YL)-6-FLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLIN CARBOXYLIC ACIDS AND THEIR DERIVATIVES BAYER AG (DE) 1998-12-09 EP disclosed
WO-1997031001-A1 POSSIBLY SUBSTITUTED 8-CYANO-1-CYCLOPROPYL-7-(2,8-DIAZABICYCLO-[4.3.0]-NONAN-8-YL)-6-FLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLIN CARBOXYLIC ACIDS AND THEIR DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-28 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 (2 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-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders OXER1, AOC3, PAM STAT3 1093/4885ADRB2 2223/4885TOP2A 156/4885
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative QPCT, ASNS, C3AR1 STAT3 1608/4885ADRB2 3944/4885TOP2A 694/4885

“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.