SCHEMBL5352808

SCHEMBL5352808

CCc1nc2cnc3ccccc3c2n1CCCCCl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TLR7 Q9NYK1 8/20 0.44
GAA P10253 2/20 0.44
TLR8 Q9NR97 1/20 0.41
PDE10A Q9Y233 1/20 0.40
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 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
SCHEMBL5355677 0.96 MAPT (0.44) MAPTTP53SMN1; SMN2TLR7GAA
SCHEMBL5349914 0.90 TLR7 (0.47) MAPTTP53SMN1; SMN2TLR7TLR8
SCHEMBL20796976 0.90 TLR7 (0.46) MAPTTP53SMN1; SMN2TLR7GAA
SCHEMBL5354895 0.89 TLR7 (0.47) MAPTSMN1; SMN2TLR7TLR8PDE10A
SCHEMBL5354263 0.89 TLR7 (0.54) TLR7TLR8
SCHEMBL4307950 0.89 TLR7 (0.49) MAPTTP53SMN1; SMN2TLR7GAA
SCHEMBL1036042 0.89 TLR7 (0.53) MAPTTP53SMN1; SMN2TLR7GAA
SCHEMBL4322597 0.89 TLR7 (0.46) MAPTTP53SMN1; SMN2TLR7GAA
SCHEMBL4316507 0.89 TLR7 (0.43) MAPTTP53SMN1; SMN2TLR7GAA
SCHEMBL5357057 0.88 TLR7 (0.53) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276515-B2 Thioether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-02 US disclosed
US-6949649-B2 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2005-09-27 US disclosed
US-20050209268-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-09-22 US disclosed
EP-1451191-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2004-09-01 EP disclosed
US-20040097736-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-05-20 US disclosed
US-6667312-B2 Useful as immune response modifiers 3M INNOVATIVE PROPERTIES COMPANY 2003-12-23 US disclosed
WO-2003050121-A1 THIOETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
US-20030100764-A1 Thioether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 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 (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-20050209268-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 MAPT 3071/4885TP53 149/4885SMN1; SMN2 3375/4885
US-20040097736-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 MAPT 3071/4885TP53 149/4885SMN1; SMN2 3375/4885
US-20030100764-A1 Thioether substituted imidazoquinolines IFNG, IRF3, IL2 MAPT 3071/4885TP53 149/4885SMN1; SMN2 3375/4885

“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.