SCHEMBL2739670

SCHEMBL2739670

CCNC(=O)Nc1nc2cc(-c3cncc(C)c3)cc(Br)c2s1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CD O00329 1/20 0.49
ABL1 P00519 4/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL222813 0.87 PIK3CG (0.68) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL220646 0.84 ABL1 (0.53) ABL1
SCHEMBL1708588 0.83 NPC1 (0.53) PIK3CGPIK3CAPIK3CDABL1NPC1
SCHEMBL222918 0.82 PIK3CA (0.46) PIK3CGPIK3CAPIK3CDABL1NPC1
SCHEMBL2739677 0.81 MAPK1 (0.49) PIK3CGPIK3CAABL1NPC1RAB9A
SCHEMBL2739669 0.80 NPC1 (0.47) PIK3CGPIK3CAPIK3CDABL1NPC1
SCHEMBL12543310 0.80 PIK3CG (0.76) PIK3CGPIK3CAPIK3CDABL1NPC1
SCHEMBL15260270 0.79 NPC1 (0.43) PIK3CGPIK3CAPIK3CDABL1NPC1
SCHEMBL222045 0.79 PIK3CA (0.50) PIK3CGPIK3CAPIK3CDABL1NPC1
SCHEMBL220904 0.79 NPC1 (0.54) PIK3CGPIK3CAPIK3CDABL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 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 (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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 PIK3CG 3492/4885PIK3CA 4048/4885PIK3CD 3480/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 PIK3CG 3467/4885PIK3CA 4048/4885PIK3CD 3463/4885

“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.