SCHEMBL12239773

SCHEMBL12239773

CCNC(=O)Nc1nc2cc(-c3cnccn3)cc(-c3cccn3C)c2s1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABL1 P00519 3/20 0.43
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
TESK1 Q15569 1/20 0.41
TESK2 Q96S53 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
SCHEMBL221214 0.88
SCHEMBL222002 0.86 ABL1 (0.48) NPC1RAB9ASMN1; SMN2ABL1LIMK1
SCHEMBL221705 0.86
SCHEMBL2739748 0.81 ABL1 (0.44) NPC1RAB9ASMN1; SMN2ABL1LIMK1
SCHEMBL2739774 0.81
SCHEMBL2739811 0.78 ABL1 (0.44) NPC1RAB9ASMN1; SMN2ABL1LIMK1
SCHEMBL222323 0.78 NPC1 (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL1502192 0.77
SCHEMBL2739672 0.77 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL2760384 0.77 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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

For each of this compound's patents that has machine-readable text (1 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-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.