SCHEMBL222311

SCHEMBL222311

Nc1nc2cc(-c3cccnc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.50
PIK3CA P42336 3/20 0.50
PI4KA P42356 3/20 0.50
PI4KB Q9UBF8 3/20 0.50
PIP5K1C O60331 1/20 0.50
CYP2A6 P11509 2/20 0.48
PIK3CG P48736 2/20 0.47
TGFBR1 P36897 3/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
PIK3CB P42338 1/20 0.41
CYP19A1 P11511 1/20 0.40
SYK P43405 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
ASH1L Q9NR48 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2760411 0.77 PIK3CD (0.57) PIK3CDPIK3CAPI4KAPI4KBPIP5K1C
SCHEMBL1359845 0.76 CYP2A6 (0.57) CYP2A6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL221757 0.76
SCHEMBL220914 0.75 SMN1; SMN2 (0.50) PIK3CAPIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL13785066 0.75 CYP2A6 (0.64) PIK3CACYP2A6NPC1RAB9ASMN1; SMN2
SCHEMBL12264114 0.74 PIK3CD (0.53) PIK3CDPIK3CAPI4KAPI4KBPIP5K1C
SCHEMBL12509852 0.74 PIK3CA (0.56) PIK3CDPIK3CAPI4KAPI4KBPIP5K1C
SCHEMBL29013271 0.74 PIK3CD (0.55) PIK3CDPIK3CAPI4KAPI4KBPIK3CG
SCHEMBL189244 0.72 ASH1L (0.59) PIK3CDPIK3CAPI4KAPI4KBPIP5K1C
SCHEMBL222987 0.72 PIK3CD (0.51) PIK3CDPIK3CAPI4KAPI4KBPIP5K1C

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 23 patents — showing the first 20. 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-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
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
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-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-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
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US 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
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 PIK3CD 3480/4885PIK3CA 4048/4885PI4KA 3713/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 PIK3CD 2792/4885PIK3CA 3650/4885PI4KA 478/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 PIK3CD 3463/4885PIK3CA 4048/4885PI4KA 3770/4885

“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.