SCHEMBL4540087

SCHEMBL4540087

CCc1nc2cnc3ccccc3c2n1CCCC=CI

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PDE10A Q9Y233 1/20 0.36
TSHR P16473 2/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 1/20 0.36
TLR8 Q9NR97 1/20 0.35
HPGD P15428 2/20 0.35
PTK2B Q14289 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL4540083 1.00 TLR7 (0.39) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL20796976 0.87 TLR7 (0.46) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL4537867 0.86 TLR7 (0.42) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL5355677 0.83 MAPT (0.44) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL5352808 0.82 MAPT (0.46) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL27725059 0.82 TLR7 (0.42) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL4307950 0.81 TLR7 (0.49) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL4316507 0.81 TLR7 (0.43) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL1036042 0.81 TLR7 (0.53) TLR7MAPTTP53GAASMN1; SMN2
SCHEMBL4322597 0.81 TLR7 (0.46) TLR7MAPTTP53GAASMN1; SMN2

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 2 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

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.