SCHEMBL1553789

SCHEMBL1553789

CCNC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
DGAT1 O75907 1/20 0.42
PDGFRB P09619 3/20 0.41
KDR P35968 3/20 0.41
FFAR1 O14842 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
ROCK2 O75116 1/20 0.37
HIF1A Q16665 1/20 0.35

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
SCHEMBL1552487 0.84 DGAT1 (0.48) DGAT1
SCHEMBL30309367 0.84 DGAT1 (0.48) DGAT1
SCHEMBL20896372 0.81 DGAT1 (0.43) GSK3AGSK3BDGAT1PDGFRBKDR
SCHEMBL17799957 0.81 PDGFRB (0.44) GSK3AGSK3BDGAT1PDGFRBKDR
SCHEMBL3804793 0.77 DGAT1 (0.47) GSK3AGSK3BDGAT1PDGFRBKDR
SCHEMBL2067804 0.77 LPL (0.45) GSK3AGSK3BDGAT1PDGFRBKDR
SCHEMBL118986 0.77 CA1 (0.51) PDGFRBKDRLPLLIPG
Carbamic Acid SCHEMBL17997310 0.77 PDGFRB (0.45) GSK3AGSK3BDGAT1PDGFRBKDR
SCHEMBL12997556 0.77 NPC1 (0.46) GSK3AGSK3B
SCHEMBL1841804 0.74 DGAT1 (0.43) GSK3AGSK3BDGAT1PDGFRBKDR

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 9 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
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 GSK3A 2130/4885GSK3B 1972/4885DGAT1 2633/4885

“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.