SCHEMBL3131876

SCHEMBL3131876

COc1c(F)c(F)c(C)c2c(=O)c(C(=O)OB(F)F)cn(C3CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.43
TOP2A P11388 2/20 0.40
TOP2B Q02880 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 5/20 0.39
POLB P06746 2/20 0.39
CACNA1F O60840 1/20 0.39
MAPK1 P28482 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
ADRB2 P07550 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PRKD3 O94806 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
OPRM1 P35372 1/20 0.37
CLK2 P49760 1/20 0.37

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
SCHEMBL3808002 0.86 GSK3B (0.53) GSK3BTOP2ATOP2BMEN1KMT2A
Fluoride SCHEMBL5146004 0.84 GSK3B (0.51) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL5146011 0.83 GSK3B (0.51) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL3129389 0.81 KDM4E (0.51) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL13315606 0.80 KCNH2 (0.48) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL2825319 0.78 KCNH2 (0.46) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL13744461 0.78 KDM4E (0.47) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL12917137 0.78 KDM4E (0.47) GSK3BTOP2ATOP2BMEN1KMT2A
SCHEMBL2184241 0.77 ADRB2 (0.51) GSK3BTOP2ATOP2BKCNH2POLB
SCHEMBL12131010 0.77 GSK3B (0.47) GSK3BTOP2ATOP2BMEN1KMT2A

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 GSK3B 2001/4885TOP2A 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.