SCHEMBL222045

SCHEMBL222045

CCNC(=O)Nc1nc2cc(-c3ccc(N)nc3)cc(Br)c2s1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.50
CYP3A4 P08684 1/20 0.50
ABL1 P00519 9/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIK3CG P48736 1/20 0.44
PIK3CD O00329 1/20 0.43
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42

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
SCHEMBL222918 0.89 PIK3CA (0.46) PIK3CAABL1NPC1RAB9ASMN1; SMN2
SCHEMBL220751 0.87 ABL1 (0.47) PIK3CAABL1NPC1RAB9ASMN1; SMN2
SCHEMBL16982876 0.86 PIK3CA (0.48) PIK3CACYP3A4ABL1NPC1RAB9A
SCHEMBL2739675 0.86 ABL1 (0.47) PIK3CACYP3A4ABL1NPC1RAB9A
SCHEMBL2739687 0.83 ABL1 (0.49) ABL1
SCHEMBL220646 0.82 ABL1 (0.53) ABL1
SCHEMBL2739810 0.82 NPC1 (0.47) PIK3CACYP3A4ABL1NPC1RAB9A
SCHEMBL15260270 0.82 NPC1 (0.43) PIK3CAABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2739677 0.79 MAPK1 (0.49) PIK3CAABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2739670 0.79 PIK3CG (0.50) PIK3CAABL1NPC1RAB9ASMN1; SMN2

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
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
EP-2034997-B1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2012-10-17 EP 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
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
CN-101472585-A Antibacterial compositions PROLYSIS LTD (GB) 2009-07-01 CN disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 WO 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 (3 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 PIK3CA 4048/4885CYP3A4 598/4885ABL1 847/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 PIK3CA 3650/4885CYP3A4 849/4885ABL1 1039/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 PIK3CA 4048/4885CYP3A4 616/4885ABL1 931/4885

“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.