SCHEMBL2739675

SCHEMBL2739675

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.47
PIK3CA P42336 2/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
PIK3CG P48736 1/20 0.44

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
SCHEMBL221710 0.90 NPC1 (0.45) ABL1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL16982876 0.86 PIK3CA (0.48) ABL1PIK3CACYP3A4NPC1RAB9A
SCHEMBL222045 0.86 PIK3CA (0.50) ABL1PIK3CACYP3A4NPC1RAB9A
SCHEMBL13270306 0.85 ABL1 (0.46) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2739687 0.83 ABL1 (0.49) ABL1
SCHEMBL219615 0.82 ABL1 (0.51) ABL1
SCHEMBL2739810 0.80 NPC1 (0.47) ABL1PIK3CACYP3A4NPC1RAB9A
SCHEMBL2739676 0.80 MAPK1 (0.46) ABL1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL2739814 0.79 PIK3CA (0.47) ABL1PIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL220474 0.78 NPC1 (0.55) ABL1NPC1RAB9ASMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 US disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 WO disclosed
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
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-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-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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ABL1 847/4885PIK3CA 4048/4885CYP3A4 598/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 ABL1 1039/4885PIK3CA 3650/4885CYP3A4 849/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885PIK3CA 994/4885CYP3A4 4713/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ABL1 931/4885PIK3CA 4048/4885CYP3A4 616/4885

“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.