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SCHEMBL5339136

SCHEMBL5339136

CCCc1nc2c(N)nc(C)c(C)c2n1CCOCCNC(=O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 5/20 0.50
▸ TLR8 Q9NR97 2/20 0.50
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5336999 0.90 TLR8 (0.47) TLR7TLR8KMT2AMEN1CYP1A2
SCHEMBL5333237 0.88 TLR8 (0.47) TLR7TLR8KMT2AMEN1CYP1A2
SCHEMBL5340468 0.87 CDK2 (0.42) TLR7TLR8KMT2AMEN1CYP1A2
SCHEMBL5334844 0.85 TLR7 (0.47) TLR7TLR8KMT2AMEN1CYP1A2
SCHEMBL4794942 0.85 TLR7 (0.38) TLR7TLR8LMNAPOLB
SCHEMBL5344250 0.82 TLR7 (0.50) TLR7TLR8SMN1; SMN2
SCHEMBL5336995 0.82 TLR8 (0.43) TLR7TLR8KMT2AMEN1CYP1A2
SCHEMBL5340168 0.82 CDK2 (0.42) TLR7TLR8KMT2AMEN1CYP1A2
SCHEMBL4794845 0.80 TLR7 (0.47) TLR7TLR8
SCHEMBL4794699 0.80 CYP1A2 (0.39) TLR7TLR8CYP1A2LMNACYP2C9

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 33/4885TLR8 45/4885KMT2A 2883/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP TLR7 93/4885TLR8 91/4885KMT2A 3405/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 TLR7 33/4885TLR8 45/4885KMT2A 2883/4885

“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.