SCHEMBL4792152

SCHEMBL4792152

Cc1nc(N)c2nc(C)n(CCOCC#Cc3ccccc3)c2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.38
TLR8 Q9NR97 2/20 0.36
HTR2A P28223 6/20 0.35
HTR2C P28335 6/20 0.35
HTR2B P41595 6/20 0.35
SIGMAR1 Q99720 6/20 0.35
DRD2 P14416 4/20 0.35
ALDH1A1 P00352 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
CDK9 P50750 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ADRA2A P08913 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6105935 0.86 TLR7 (0.56) TLR7TLR8
SCHEMBL4793120 0.86 TLR8 (0.54) TLR7TLR8LMNAKDM4E
SCHEMBL5344816 0.85 ALDH1A1 (0.36) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL6105155 0.82 TLR7 (0.35) TLR7TLR8HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6106263 0.81 TLR7 (0.34) TLR7TLR8HTR2AHTR2CHTR2B
SCHEMBL4867497 0.81 TLR7 (0.47) TLR7TLR8ALDH1A1ADORA2AADORA3
SCHEMBL4790532 0.81 HTR2A (0.35) TLR7TLR8HTR2AHTR2CHTR2B
SCHEMBL4792812 0.81 ALDH1A1 (0.52) TLR7ALDH1A1CDK9DYRK1ADYRK2
SCHEMBL6105896 0.81 TLR7 (0.54) TLR7TLR8HTTLMNATP53
SCHEMBL6106697 0.80 TLR7 (0.53) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
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
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP 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
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO 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 TLR7 33/4885TLR8 45/4885HTR2A 4759/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885TLR8 91/4885HTR2A 4771/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885TLR8 45/4885HTR2A 4759/4885

“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.