SCHEMBL5336679

SCHEMBL5336679

CCCc1nc2c(N)nc(C)cc2n1CCOCCNC(=O)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
AGTR1 P30556 4/20 0.38
AGTR2 P50052 1/20 0.38
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 1/20 0.34
MEN1 O00255 1/20 0.34
PDE5A O76074 2/20 0.34
PDE6A P16499 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
DRD2 P14416 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
EDNRA P25101 1/20 0.33
SMO Q99835 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
SCHEMBL4791300 0.92 TLR7 (0.39) HTTAGTR1AGTR2KMT2ASMN1; SMN2
SCHEMBL5338601 0.90 BRD4 (0.41) HTTKMT2ASMN1; SMN2BRD4MEN1
SCHEMBL4793922 0.88 HTT (0.38) HTTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL4793540 0.84 HTT (0.42) HTTAGTR1AGTR2KMT2ASMN1; SMN2
SCHEMBL4791296 0.83 HTT (0.36) HTTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL4794054 0.82 CYP1A2 (0.44) HTTKMT2ASMN1; SMN2MEN1TLR7
SCHEMBL5338594 0.82 HTT (0.37) HTTKMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL5337932 0.81 TLR7 (0.35) TLR7
SCHEMBL6286213 0.81 HTT (0.46) HTTAGTR1AGTR2KMT2ASMN1; SMN2
SCHEMBL4791724 0.81 TP53 (0.47) SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 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 (3 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 HTT 4588/4885AGTR1 667/4885AGTR2 1220/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP HTT 4440/4885AGTR1 715/4885AGTR2 1792/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 HTT 4588/4885AGTR1 667/4885AGTR2 1220/4885

“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.