SCHEMBL4756616

SCHEMBL4756616

CCCc1nc2c(N)nc3cc(-c4cccnc4)cc(C(C)C)c3c2n1N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.40
DHFR P00374 1/20 0.35
GRM2 Q14416 1/20 0.34
PDPK1 O15530 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL5405210 0.90 TLR7 (0.44) TLR7
SCHEMBL5415664 0.87 TLR7 (0.45) TLR7
SCHEMBL5413507 0.85 ALOX5 (0.44) TLR7
SCHEMBL4758002 0.79 TLR7 (0.46) TLR7
SCHEMBL5412540 0.77 TLR7 (0.36) TLR7
SCHEMBL5415713 0.77 LRRK2 (0.41)
SCHEMBL4756617 0.74 TLR7 (0.39) TLR7DHFR
SCHEMBL14594193 0.74 TLR7 (0.44) TLR7DHFRGRM2
SCHEMBL6249443 0.70 TLR7 (0.52) TLR7
SCHEMBL4758005 0.69 TLR7 (0.45) TLR7

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 146/4885DHFR 151/4885GRM2 1783/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR7 146/4885DHFR 151/4885GRM2 1783/4885

“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.