SCHEMBL4754020

SCHEMBL4754020

CCCCc1nc2cnc3ccccc3c2n1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.49
XBP1 P17861 1/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
TLR8 Q9NR97 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4756423 0.86 TLR7 (0.43) TLR7MEN1NPC1GAARAB9A
SCHEMBL5405185 0.85 XBP1 (0.48) TLR7XBP1CNR2CNR1HTT
SCHEMBL6494409 0.84 TLR7 (0.54) TLR7GAATLR8HTTLMNA
SCHEMBL4551314 0.84 TLR7 (0.54) TLR7GAAHTTSMN1; SMN2LMNA
SCHEMBL24183914 0.84 TLR7 (0.48) TLR7TLR8
SCHEMBL24723244 0.83 TLR7 (0.54) TLR7GAATLR8HTTSMN1; SMN2
SCHEMBL4756373 0.83 KMT2A (0.45) MEN1NPC1GAARAB9AKMT2A
SCHEMBL24183911 0.82 TLR7 (0.49) TLR7TLR8SMN1; SMN2
SCHEMBL29136618 0.81 TLR7 (0.60) TLR7TLR8
SCHEMBL30824675 0.81 TLR7 (0.60) 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
EP-1605943-A4 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2008-01-16 EP disclosed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
CN-1784231-A 1-amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-06-07 CN disclosed
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
EP-1605943-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-12-21 EP disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
WO-2004080398-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-23 WO disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 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 (2 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-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR7 146/4885XBP1 2826/4885MEN1 2757/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR7 146/4885XBP1 2826/4885MEN1 2757/4885

“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.