SCHEMBL4155601

SCHEMBL4155601

CCCc1nc2cnc3ccccc3c2n1CCCCCCCCCCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.46
HDAC6 Q9UBN7 3/20 0.45
TLR8 Q9NR97 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
TBXAS1 P24557 2/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4148792 1.00 TLR7 (0.46) TLR7HDAC6TLR8SMN1; SMN2FABP4
SCHEMBL4151691 0.99 HDAC6 (0.46) TLR7HDAC6TLR8SMN1; SMN2FABP4
SCHEMBL5669214 0.96 HDAC6 (0.47) TLR7HDAC6TLR8SMN1; SMN2FABP4
SCHEMBL5617050 0.92 TLR7 (0.46) TLR7TLR8SMN1; SMN2LMNATP53
SCHEMBL4144268 0.92 TLR7 (0.46) TLR7TLR8SMN1; SMN2LMNATP53
SCHEMBL5617901 0.91 RXFP1 (0.46) TLR7TLR8SMN1; SMN2TBXAS1LMNA
SCHEMBL5617072 0.90 TLR7 (0.45) TLR7TLR8SMN1; SMN2LMNATP53
SCHEMBL4008827 0.89 TLR7 (0.43) TLR7TLR8SMN1; SMN2LMNA
SCHEMBL5616985 0.89 TLR7 (0.44) TLR7HDAC6FABP4FABP5TBXAS1
SCHEMBL5617258 0.89 SMN1; SMN2 (0.47) TLR7HDAC6TLR8SMN1; SMN2LMNA

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
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
EP-1687307-A4 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-06-17 EP disclosed
US-20070072893-A1 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY 2007-03-29 US 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 (3 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 TLR7 162/4885HDAC6 919/4885TLR8 131/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 TLR7 155/4885HDAC6 625/4885TLR8 137/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 TLR7 155/4885HDAC6 625/4885TLR8 137/4885

“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.