SCHEMBL2760436

SCHEMBL2760436

CCNC(=O)Nc1nc2cc(-c3ccncc3)cc(I)c2s1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.65
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
PIK3CD O00329 1/20 0.45

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
SCHEMBL219337 0.87 ABL1 (0.53) ABL1
SCHEMBL2739701 0.82 ABL1 (0.60) ABL1
SCHEMBL221390 0.82 NPC1 (0.54) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL221703 0.80 NPC1 (0.52) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL222455 0.76
SCHEMBL2739813 0.75 ABL1 (0.55) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL221564 0.75 ABL1 (0.53) ABL1
SCHEMBL14347505 0.75 ABL1 (0.53) ABL1
SCHEMBL220280 0.74 ABL1 (0.51) ABL1
SCHEMBL220646 0.74 ABL1 (0.53) ABL1

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 2 patents. 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-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ABL1 847/4885NPC1 2581/4885RAB9A 3590/4885

“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.