SCHEMBL3131995

SCHEMBL3131995

O=C(OB(F)F)c1cn(C2CC2)c2c(OCF)c(F)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
TOP2A P11388 6/20 0.44
TOP2B Q02880 6/20 0.44
KCNH2 Q12809 4/20 0.43
GSK3B P49841 2/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
OPRM1 P35372 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PRKD3 O94806 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CLK2 P49760 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRD1 P41143 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
SCHEMBL3129389 0.88 KDM4E (0.51) ADRB2TOP2ATOP2BKCNH2GSK3B
SCHEMBL3131987 0.86 TOP2A (0.58) TOP2ATOP2BKCNH2GSK3BPOLB
SCHEMBL4387133 0.86 ADRB2 (0.44) ADRB2TOP2ATOP2BKCNH2GSK3B
SCHEMBL3137596 0.86 ADRB2 (0.44) ADRB2TOP2ATOP2BKCNH2GSK3B
SCHEMBL13355583 0.86 ADRB2 (0.59) ADRB2TOP2ATOP2BKCNH2GSK3B
SCHEMBL13744461 0.84 KDM4E (0.47) ADRB2TOP2ATOP2BKCNH2GSK3B
SCHEMBL12917137 0.84 KDM4E (0.47) ADRB2TOP2ATOP2BKCNH2GSK3B
SCHEMBL2184241 0.83 ADRB2 (0.51) ADRB2TOP2ATOP2BKCNH2GSK3B
SCHEMBL3858815 0.83 ADRB2 (0.41) ADRB2TOP2ATOP2BKCNH2GSK3B
SCHEMBL1155096 0.81 KDM4E (0.52) ADRB2TOP2ATOP2BKCNH2GSK3B

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
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 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-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 ADRB2 616/4885TOP2A 389/4885TOP2B 359/4885

“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.