SCHEMBL4149633

SCHEMBL4149633

CCOCc1nc2cnc3ccccc3c2n1CCCC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.45
CTNNB1 P35222 1/20 0.45
TOP2A P11388 2/20 0.44
FAAH O00519 2/20 0.44
GAA P10253 1/20 0.43
TLR8 Q9NR97 4/20 0.43
TLR7 Q9NYK1 3/20 0.42
PDE5A O76074 1/20 0.42
NUDT1 P36639 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ELANE P08246 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5617292 0.97 FAAH (0.48) TNFCTNNB1TOP2AFAAHGAA
SCHEMBL5616929 0.96 FAAH (0.49) TNFCTNNB1TOP2AFAAHGAA
SCHEMBL5617058 0.94 TLR8 (0.44) TOP2AFAAHTLR8TLR7PDE5A
SCHEMBL19475541 0.92 TLR8 (0.43) FAAHTLR8TLR7NUDT1
SCHEMBL5616927 0.90 TLR8 (0.46) TLR8TLR7NUDT1KDM4ESMN1; SMN2
SCHEMBL4158992 0.89 TNF (0.48) TNFCTNNB1TOP2AFAAHGAA
SCHEMBL5616943 0.87 TLR8 (0.46) TLR8TLR7NUDT1KDM4ESMN1; SMN2
SCHEMBL5616961 0.86 TNF (0.43) TNFCTNNB1FAAHGAATLR8
SCHEMBL6099996 0.86 TLR8 (0.49) TLR8TLR7NUDT1KDM4EALDH1A1
SCHEMBL4147393 0.86 FAAH (0.48) TNFCTNNB1TOP2AFAAHGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765071-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-19 US disclosed
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-07-07 US disclosed
US-9328110-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-03 US disclosed
EP-1687307-B1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-01-06 EP disclosed
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-10 US disclosed
US-8697873-B2 Amide substituted imidazopyridines, imidazoquinolines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-15 US disclosed
EP-1687307-A4 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-06-17 EP disclosed
US-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2007-09-20 US disclosed
US-20070072893-A1 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY 2007-03-29 US disclosed
CN-1926138-A Substituted imidazole ring systems and methods 3M INNOVATIVE PROPERTIES CO (US) 2007-03-07 CN disclosed
EP-1730143-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2006-12-13 EP disclosed
EP-1687307-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005094531-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-13 WO disclosed
WO-2005051317-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 WO 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 (4 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-20070072893-A1 Substituted imidazo ring systems and methods IL2, IRF3, EIF2AK2 TNF 39/4885CTNNB1 4830/4885TOP2A 679/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 TNF 50/4885CTNNB1 4726/4885TOP2A 810/4885
US-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES IL2, IL4, IFNG TNF 77/4885CTNNB1 4878/4885TOP2A 1258/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 TNF 50/4885CTNNB1 4726/4885TOP2A 810/4885

“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.