SCHEMBL1553368

SCHEMBL1553368

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
AURKB Q96GD4 2/20 0.48
ABL1 P00519 1/20 0.48
PIM1 P11309 1/20 0.48
YES1 P07947 1/20 0.44
HIPK1 Q86Z02 1/20 0.44
PIK3CA P42336 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 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
SCHEMBL13418872 0.89 MAPK1 (0.44) MAPK1AURKBABL1PIM1PIK3CA
SCHEMBL1553965 0.88 MAPK1 (0.44) MAPK1AURKBABL1PIM1YES1
SCHEMBL1553109 0.87 MAPK1 (0.42) MAPK1AURKBABL1PIM1YES1
SCHEMBL1553536 0.84 TRPM8 (0.44) MAPK1AURKBABL1PIM1
SCHEMBL1552665 0.82 MAPK1 (0.45) MAPK1AURKBABL1PIM1YES1
SCHEMBL1553254 0.81 ABL1 (0.42) MAPK1AURKBABL1PIM1
SCHEMBL1553940 0.81 ABL1 (0.42) MAPK1AURKBABL1PIM1YES1
SCHEMBL1553077 0.81 NPC1 (0.45) MAPK1AURKBABL1PIM1
SCHEMBL12708270 0.81 MAPK1 (0.46) MAPK1AURKBABL1PIM1YES1
SCHEMBL1553983 0.81 ABL1 (0.41) MAPK1AURKBABL1PIM1

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
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
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

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 MAPK1 1218/4885AURKB 2825/4885ABL1 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.