SCHEMBL222604

SCHEMBL222604

CCNC(=O)Nc1nc2cc(-n3cccn3)cc(Br)c2s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ABL1 P00519 6/20 0.44
▸ PIK3CD O00329 3/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ PIK3CG P48736 2/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ MINK1 Q8N4C8 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ GHSR Q92847 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
SCHEMBL222859 0.83 — —
SCHEMBL12239775 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL220904 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL1708588 0.78 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL221596 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ABL1PIK3CD
SCHEMBL222769 0.75 ABL1 (0.47) ABL1
SCHEMBL14097690 0.74 FGFR1 (0.40) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL220646 0.74 ABL1 (0.53) ABL1
SCHEMBL12239795 0.73 ABL1 (0.46) ABL1
SCHEMBL15260346 0.73 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ABL1PIK3CD

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 22 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
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-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
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 NPC1 2581/4885RAB9A 3590/4885SMN1; SMN2 3141/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 NPC1 3471/4885RAB9A 3588/4885SMN1; SMN2 3693/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 NPC1 2378/4885RAB9A 3558/4885SMN1; SMN2 3013/4885

“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.

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