SCHEMBL4757247

SCHEMBL4757247

CCCCc1nc2cnc3ccccc3c2n1NCCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.46
ADORA3 P0DMS8 4/20 0.44
ADORA1 P30542 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL4756386 0.87 PDE4A (0.47) TLR7ADORA3ADORA1PDE4APDE4B
SCHEMBL27823956 0.86 LMNA (0.47) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL4757237 0.84 TLR7 (0.45) TLR7ADORA3ADORA1PDE4APDE4B
SCHEMBL5405185 0.83 XBP1 (0.48) TLR7ADORA3ADORA1PDE4APDE4B
SCHEMBL4824313 0.83 TLR7 (0.40) TLR7LMNA
SCHEMBL30710541 0.81 TLR7 (0.60) TLR7ADORA3ADORA1PDE4APDE4B
SCHEMBL7570122 0.80 ATM (0.56) TLR7ADORA3ADORA1PDE4APDE4B
Hydrochloric Acid SCHEMBL4753921 0.79 ATM (0.55) TLR7ADORA3ADORA1PDE4APDE4B
SCHEMBL4754020 0.78 TLR7 (0.49) TLR7LMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL2707501 0.78 TLR7 (0.47) TLR7ADORA3ADORA1PDE4APDE4B

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 146/4885ADORA3 2935/4885ADORA1 2145/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR7 146/4885ADORA3 2935/4885ADORA1 2145/4885

“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.