SCHEMBL5344176

SCHEMBL5344176

Cc1cc2c(nc(CCC3CC3)n2CCOCCNC(=O)NC(C)C)c(N)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
TP53 P04637 6/20 0.32
MAPT P10636 3/20 0.32
GNRHR P30968 1/20 0.32
MBOAT4 Q96T53 5/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL5341368 0.92 TLR8 (0.39) BRD4MAPTTLR8TLR7
SCHEMBL5346170 0.89 TLR7 (0.35) GNRHRTLR8TLR7
SCHEMBL5332201 0.89 EPHX1 (0.37) BRD4TP53MAPT
SCHEMBL5336959 0.88 TLR7 (0.36) BRD4MAPTGNRHRTLR8TLR7
SCHEMBL5348711 0.85 BRD4 (0.33) BRD4CREBBPTP53MAPTTLR8
SCHEMBL5342027 0.84 TLR7 (0.32) MBOAT4TLR8TLR7
SCHEMBL4795131 0.83 CNR2 (0.33) BRD4CREBBPTLR8TLR7
SCHEMBL5344172 0.83 BRD4 (0.31) BRD4
SCHEMBL5348069 0.83 KEAP1 (0.39) TP53MAPTTLR8TLR7
SCHEMBL5338601 0.83 BRD4 (0.41) BRD4CREBBP

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 BRD4 130/4885CREBBP 330/4885TP53 226/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP BRD4 356/4885CREBBP 1098/4885TP53 111/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 BRD4 130/4885CREBBP 330/4885TP53 226/4885

“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.