SCHEMBL220271

SCHEMBL220271

CCNC(=O)Nc1nc2cc(-c3cnccn3)nc(-c3cnccn3)c2s1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABL1 P00519 3/20 0.47
LIMK1 P53667 1/20 0.47
LIMK2 P53671 1/20 0.47
TESK1 Q15569 1/20 0.47
TESK2 Q96S53 1/20 0.47
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
PIK3CD O00329 1/20 0.41

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
SCHEMBL222002 0.84 ABL1 (0.48) NPC1RAB9ASMN1; SMN2ABL1LIMK1
SCHEMBL221705 0.80
SCHEMBL220974 0.80 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2739748 0.79 ABL1 (0.44) NPC1RAB9ASMN1; SMN2ABL1LIMK1
SCHEMBL2739811 0.77 ABL1 (0.44) NPC1RAB9ASMN1; SMN2ABL1LIMK1
SCHEMBL2739774 0.77
SCHEMBL12239773 0.76 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ABL1LIMK1
SCHEMBL15259991 0.75 ABL1 (0.43) NPC1RAB9ASMN1; SMN2ABL1LIMK1
SCHEMBL1282237 0.74 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2760384 0.74 ABL1 (0.46) NPC1RAB9ASMN1; SMN2ABL1LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2010-12-09 US claimed
EP-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 EP 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-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2010-12-09 US disclosed
WO-2009074810-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD (GB) 2009-06-18 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 (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 NPC1 2581/4885RAB9A 3590/4885SMN1; SMN2 3141/4885
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS C5, AGK, CYCS NPC1 3590/4885RAB9A 1924/4885SMN1; SMN2 3380/4885

“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.