SCHEMBL5869950

SCHEMBL5869950

Cc1nc(N)c2ncn(CCC[S+]([O-])c3ncccn3)c2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.35
TLR7 Q9NYK1 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
NUDT1 P36639 1/20 0.35
HTR2B P41595 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC29A1 Q99808 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
TMIGD3 P0DMS9 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
SCHEMBL4872248 0.97 ADORA2A (0.34) ADORA2ATLR7LMNAPOLBHRH2
SCHEMBL5334042 0.96 ALDH1A1 (0.34) ADORA2ATLR7LMNAPOLBHRH2
SCHEMBL4791711 0.88 ADORA2A (0.39) ADORA2ATLR7LMNAPOLBHRH2
SCHEMBL4794870 0.84 ADORA2A (0.35) ADORA2ATLR7LMNAPOLBHRH2
SCHEMBL4793694 0.84 ADORA2A (0.38) ADORA2ATLR7LMNAPOLBHRH2
SCHEMBL4793623 0.84 ADORA2A (0.38) ADORA2ATLR7LMNAPOLBHRH2
SCHEMBL4792621 0.83 AHCY (0.36) ADORA2ATLR7LMNAPOLBHRH2
SCHEMBL4792034 0.82 TLR7 (0.36) TLR7
SCHEMBL4866680 0.81 ADORA2A (0.40) ADORA2ATLR7LMNAPOLBHRH2
SCHEMBL4793060 0.81 ALDH1A1 (0.36) ADORA2ATLR7LMNAPOLBHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP ADORA2A 3607/4885TLR7 93/4885LMNA 4818/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 ADORA2A 3784/4885TLR7 33/4885LMNA 4400/4885

“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.