SCHEMBL4537867

SCHEMBL4537867

CCc1nc2cnc3ccccc3c2n1CCCC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.42
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTK2B Q14289 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE10A Q9Y233 1/20 0.38
RECQL P46063 1/20 0.37
MAPK1 P28482 1/20 0.37
TLR8 Q9NR97 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5617978 0.91 TLR7 (0.43) TLR7MAPTGAATSHRSMN1; SMN2
SCHEMBL4147408 0.90 TLR7 (0.48) TLR7TP53GAATSHRPTK2B
SCHEMBL20796976 0.89 TLR7 (0.46) TLR7MAPTTP53GAATSHR
SCHEMBL4540083 0.86 TLR7 (0.39) TLR7MAPTTP53GAATSHR
SCHEMBL4540087 0.86 TLR7 (0.39) TLR7MAPTTP53GAATSHR
SCHEMBL5355677 0.85 MAPT (0.44) TLR7MAPTTP53GAATSHR
SCHEMBL5352808 0.84 MAPT (0.46) TLR7MAPTTP53GAATSHR
SCHEMBL27725059 0.84 TLR7 (0.42) TLR7MAPTTP53GAATSHR
SCHEMBL1036042 0.83 TLR7 (0.53) TLR7MAPTTP53GAATSHR
SCHEMBL4307950 0.83 TLR7 (0.49) TLR7MAPTTP53GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802853-B2 Arylalkenyl and arylalkynyl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-08-12 US disclosed
US-20090030030-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-29 US disclosed
EP-1701955-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-09-20 EP disclosed
WO-2005066170-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 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 (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-20090030030-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 67/4885MAPT 4633/4885TP53 113/4885

“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.