SCHEMBL1553077

SCHEMBL1553077

CCNC(=O)Nc1ccc(-c2nc(C(=O)NCC)c(C(=O)O)s2)cn1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
ABL1 P00519 1/20 0.44
PIM1 P11309 1/20 0.44
MAPK1 P28482 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL1553553 0.94 ABL1 (0.42) ABL1PIM1MAPK1AURKB
SCHEMBL1553751 0.94 NPC1 (0.43) NPC1HPGDABL1PIM1MAPK1
SCHEMBL13418866 0.92 EPHX2 (0.48) NPC1
SCHEMBL13418872 0.91 MAPK1 (0.44) ABL1PIM1MAPK1AURKB
SCHEMBL1553526 0.91 ABL1 (0.44) ABL1PIM1MAPK1AURKB
SCHEMBL1553932 0.91 ABL1 (0.41) ABL1PIM1MAPK1AURKB
SCHEMBL1553171 0.91 ABL1 (0.43) ABL1PIM1MAPK1AURKB
SCHEMBL12707825 0.90 EPHX2 (0.45) ABL1PIM1MAPK1AURKB
SCHEMBL1553896 0.89 ABL1 (0.40) ABL1PIM1MAPK1AURKB
SCHEMBL1553754 0.89 MAPK1 (0.42) ABL1PIM1MAPK1AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
EP-2102199-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008068470-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2008-06-12 WO disclosed
WO-2008068470-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2008-06-12 WO disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 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-20080132546-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, ABCB11 NPC1 207/4885HPGD 389/4885ABL1 261/4885

“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.