SCHEMBL5336959

SCHEMBL5336959

COCCc1nc2c(N)nc(C)cc2n1CCOCCNC(=O)NC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.36
BRD4 O60885 3/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PPP1CA P62136 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CHRM4 P08173 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GNRHR P30968 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 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
SCHEMBL5346170 0.92 TLR7 (0.35) TLR7TLR8CYP1A2CYP2C9CYP2C19
SCHEMBL5344176 0.88 BRD4 (0.33) TLR7BRD4MAPTTLR8GNRHR
SCHEMBL5341368 0.86 TLR8 (0.39) TLR7BRD4MAPTTLR8
SCHEMBL5341250 0.85 EPHX2 (0.41) BRD4HPGDKDM4EALDH1A1GAA
SCHEMBL5336954 0.85 BRD4 (0.33) BRD4HPGDKDM4EALDH1A1GLA
SCHEMBL4792214 0.84 TLR7 (0.40) TLR7TLR8
SCHEMBL5342882 0.83 TLR7 (0.38) TLR7TLR8
SCHEMBL5334340 0.82 CDK2 (0.40) TLR7KDM4EMAPTSMN1; SMN2TLR8
SCHEMBL4793547 0.82 TLR7 (0.35) TLR7SMN1; SMN2TLR8
SCHEMBL4791300 0.81 TLR7 (0.39) TLR7BRD4KDM4EALDH1A1GLA

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 TLR7 33/4885BRD4 130/4885HPGD 624/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885BRD4 356/4885HPGD 326/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885BRD4 130/4885HPGD 624/4885

“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.