SCHEMBL4754407

SCHEMBL4754407

CCOCc1nc2cnc3ccccc3c2n1NC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
TLR8 Q9NR97 3/20 0.37
PDE5A O76074 2/20 0.37
ACP1 P24666 2/20 0.37
NUDT1 P36639 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4760996 0.90 TLR7 (0.45) TLR7TLR8NUDT1JAK2JAK1
SCHEMBL14594188 0.82 TLR7 (0.57) TLR7TLR8NUDT1
SCHEMBL4824309 0.81 TLR7 (0.40) TLR7LMNAKMT2ATLR8NUDT1
SCHEMBL4753195 0.80 LMNA (0.35) TLR7LMNAKMT2ATLR8NUDT1
SCHEMBL14465833 0.80 TLR7 (0.52) TLR7LMNAKMT2ATLR8NUDT1
SCHEMBL4754410 0.79 TLR7 (0.43) TLR7KMT2ATLR8NUDT1L3MBTL1
SCHEMBL4824313 0.79 TLR7 (0.40) TLR7LMNAKMT2ATLR8PDE5A
SCHEMBL4763937 0.79 TLR7 (0.52) TLR7LMNAKMT2ATLR8NUDT1
SCHEMBL4757591 0.78 TLR7 (0.40) TLR7LMNAKMT2ATLR8NUDT1
SCHEMBL4754553 0.78 HSD17B10 (0.47) TLR7KMT2ATLR8NUDT1KDM4E

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 7 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
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 146/4885LMNA 3863/4885KMT2A 2385/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR7 146/4885LMNA 3863/4885KMT2A 2385/4885

“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.