SCHEMBL1960990

SCHEMBL1960990

CCOCc1nc2c(c3cc(OCc4ccccc4)ccc3n3nnnc23)n1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.42
MAOB P27338 1/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TLR8 Q9NR97 3/20 0.35
ACSS2 Q9NR19 1/20 0.35
NUDT1 P36639 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE5A O76074 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AS3MT Q9HBK9 1/20 0.33

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
SCHEMBL1962221 0.91 TLR7 (0.40) TLR7DYRK1A
SCHEMBL1961220 0.87 MRGPRX4 (0.39) TLR7TLR8
SCHEMBL1959277 0.84 TLR7 (0.47) TLR7KMT2AMEN1TLR8NUDT1
SCHEMBL1486567 0.79 TLR7 (0.62) TLR7TLR8NUDT1
SCHEMBL1486528 0.77 TLR7 (0.69) TLR7TLR8NUDT1
SCHEMBL1486575 0.75 NMT1 (0.45) TLR7HRH3ACSS2
SCHEMBL1486507 0.73 TLR7 (0.47) TLR7KMT2AMEN1HRH3TLR8
SCHEMBL1486524 0.72 TLR7 (0.40) TLR7MAOBKMT2ARAB9AMEN1
SCHEMBL1486506 0.72 TLR7 (0.56) TLR7TLR8NUDT1
SCHEMBL12315583 0.72 TLR7 (0.56) TLR7TLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 US disclosed
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2011-06-16 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-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 42/4885MAOB 3039/4885KMT2A 3261/4885

“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.