SCHEMBL1553380

SCHEMBL1553380

CC(C)NC(=O)Nc1cc(C(N)=S)c(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.42
ABL1 P00519 1/20 0.39
MAPK1 P28482 12/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
GCK P35557 1/20 0.36

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
SCHEMBL13419098 0.89 MAP4K1 (0.43) MAP4K1ABL1MAPK1CA12CA1
SCHEMBL1553650 0.88 RAB9A (0.44) MAP4K1MAPK1CA12CA1CA2
SCHEMBL1430493 0.82 MAPK1 (0.45) MAPK1
SCHEMBL1430102 0.80 NPC1 (0.47) MAPK1
SCHEMBL1554212 0.77 RAB9A (0.46) MAP4K1MAPK1CA12CA1CA2
SCHEMBL12708331 0.76 MAP4K1 (0.43) MAP4K1ABL1MAPK1
SCHEMBL1429765 0.75 GSK3B (0.42) MAPK1CA1CA2
SCHEMBL13080477 0.75 NNMT (0.46) MAPK1
SCHEMBL12708366 0.73 ALDH1A1 (0.39) MAP4K1MAPK1CA12CA1CA2
SCHEMBL1430029 0.70 MAPK1 (0.46) MAPK1

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 MAP4K1 1822/4885ABL1 261/4885MAPK1 1218/4885

“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.