SCHEMBL4757946

SCHEMBL4757946

CCCNn1c(CCC)nc2cnc3cc(Br)ccc3c21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
PPARG P37231 2/20 0.34
EGFR P00533 2/20 0.32
PTGES O14684 5/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BRD4 O60885 1/20 0.31
JAK1 P23458 1/20 0.31
ADORA3 P0DMS8 2/20 0.31

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
SCHEMBL4757052 0.85 HTT (0.33) HTTCCNCCDK8CHRNB2CHRNA7
SCHEMBL5415670 0.84 PPARG (0.39) HTTPPARGEGFRLMNAMEN1
SCHEMBL4755162 0.81 ATM (0.34) HTTPPARGPTGESLMNAMEN1
SCHEMBL4758727 0.79 EGFR (0.38) HTTPPARGEGFRNPSR1JAK1
SCHEMBL3866782 0.78 TLR7 (0.43) PPARGPTGESLMNAMAPTBRD4
SCHEMBL4757247 0.77 TLR7 (0.46) LMNAADORA3
SCHEMBL4757047 0.77 PPARG (0.33) HTTCCNCCDK8PPARGEGFR
SCHEMBL3863839 0.76 TLR7 (0.46) PPARGBRD4
SCHEMBL3169725 0.76 TLR7 (0.43) PPARGMEN1KMT2ABRD4
SCHEMBL3873637 0.75 TP53 (0.39) HTTPPARGLMNAMAPT

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 HTT 3823/4885CCNC 1567/4885CDK8 1025/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 HTT 3823/4885CCNC 1567/4885CDK8 1025/4885

“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.