SCHEMBL3552211

SCHEMBL3552211

CCOC(=O)c1cc(F)c(F)c(C#N)c1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.56
KDM4E B2RXH2 6/20 0.52
GLA P06280 1/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 3/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 6/20 0.45
MEN1 O00255 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7045129 0.84 ALDH1A1 (0.48) STAT3KDM4EMAPTALDH1A1HSD17B10
SCHEMBL13341760 0.83 STAT3 (0.44) STAT3KDM4EGLAATMMAPT
SCHEMBL2001481 0.82 TSHR (0.52) STAT3KDM4EMAPTALDH1A1HSD17B10
SCHEMBL2184188 0.79 TSHR (0.48) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL13341761 0.79 STAT3 (0.41) STAT3KDM4EGLAATMMAPT
SCHEMBL7813719 0.78 TSHR (0.52) STAT3KDM4EMAPTALDH1A1HSD17B10
SCHEMBL31237092 0.77 TSHR (0.50) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL14408161 0.77 STAT3 (0.36) STAT3KDM4EMAPTALDH1A1HSD17B10
SCHEMBL7486003 0.77 CYP2C9 (0.43) STAT3KDM4EGLAATMMAPT
SCHEMBL7654922 0.77 CYP2C9 (0.43) STAT3KDM4EGLAATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6462218-B1 BY HYDROLYTIC CLEAVAGE CARRIED OUT IN THE PRESENCE OF ACIDS AND WATER OF ITS AMIDE, ESTER OR CYANO DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US 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-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative QPCT, ASNS, C3AR1 STAT3 1608/4885KDM4E 4240/4885GLA 2877/4885

“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.