SCHEMBL4297280

SCHEMBL4297280

CCOC(=O)c1cn(C2CC2)c2c(OC(F)F)c(Br)c(F)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.54
KCNH2 Q12809 5/20 0.45
TOP2A P11388 4/20 0.42
TOP2B Q02880 4/20 0.42
GSK3B P49841 2/20 0.42
STAT3 P40763 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PRKD3 O94806 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL1984659 0.90 ADRB2 (0.58) ADRB2KCNH2TOP2ATOP2BGSK3B
SCHEMBL30944930 0.89 ADRB2 (0.56) ADRB2KCNH2TOP2ATOP2BGSK3B
SCHEMBL7011678 0.89 ADRB2 (0.56) ADRB2KCNH2TOP2ATOP2BGSK3B
SCHEMBL7008294 0.88 ADRB2 (0.55) ADRB2KCNH2TOP2ATOP2BGSK3B
SCHEMBL7599453 0.87 ADRB2 (0.65) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL7011806 0.86 ADRB2 (0.59) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL2081998 0.85 ADRB2 (0.45) ADRB2KCNH2GSK3BSTAT3HPGD
SCHEMBL7584091 0.84 ADRB2 (0.57) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL7005951 0.84 ADRB2 (0.57) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL9188190 0.84 ADRB2 (0.61) ADRB2KCNH2TOP2ATOP2BSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
WO-2009131973-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 WO disclosed
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 US disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 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 (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-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 ADRB2 3198/4885KCNH2 2211/4885TOP2A 182/4885
US-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS NQO2, QARS1, NQO1 ADRB2 3156/4885KCNH2 3433/4885TOP2A 65/4885

“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.