SCHEMBL14288487

SCHEMBL14288487

CCc1nc2c[n+]([O-])c3ccccc3c2n1CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.39
BCHE P06276 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 2/20 0.36
CNR2 P34972 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
ACACB O00763 2/20 0.35
ACACA Q13085 1/20 0.35
GNRHR P30968 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL5106169 0.87 TLR7 (0.40) TLR7BCHEIDO1CNR2PIM1
SCHEMBL5364581 0.83 TLR7 (0.47) TLR7BCHEIDO1CNR2PIM1
SCHEMBL5364616 0.83 TLR7 (0.48) TLR7GAACNR2PIM1PIM3
SCHEMBL5346497 0.82 TLR7 (0.48) TLR7BCHEIDO1CNR2PIM1
SCHEMBL25962881 0.82 TLR7 (0.49) TLR7GAACNR2PIM1PIM3
SCHEMBL1948125 0.81 CNR2 (0.39) TLR7BCHEIDO1CNR2PIM1
SCHEMBL25950619 0.81 TLR7 (0.44) TLR7GAACNR2GNRHR
SCHEMBL1952878 0.80 CNR2 (0.44) TLR7IDO1CNR2PIM1PIM3
SCHEMBL14288481 0.80 MEN1 (0.41) TLR7BCHEMEN1NPC1GAA
SCHEMBL5348805 0.80 CNR2 (0.47) BCHERAB9AIDO1CNR2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-17 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-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 TLR7 215/4885BCHE 2869/4885MEN1 3849/4885

“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.