SCHEMBL5338601

SCHEMBL5338601

Cc1cc2c(nc(CCC3CC3)n2CCOCCNC(=O)N2CCOCC2)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.41
CREBBP Q92793 2/20 0.41
HTT P42858 1/20 0.37
SMO Q99835 3/20 0.34
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 4/20 0.32
DRD3 P35462 4/20 0.32
ASAH1 Q13510 1/20 0.32
ADRA1A P35348 1/20 0.32
THRB P10828 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
SCHEMBL4793922 0.92 HTT (0.38) BRD4CREBBPHTTSMOCHRM1
SCHEMBL5336679 0.90 HTT (0.39) BRD4HTTSMOMEN1KMT2A
SCHEMBL4791300 0.90 TLR7 (0.39) BRD4HTTMEN1KMT2ASMN1; SMN2
SCHEMBL5336452 0.85 HTT (0.40) BRD4CREBBPHTTSMOCHRM1
SCHEMBL5348711 0.83 BRD4 (0.33) BRD4CREBBPDRD2DRD3
SCHEMBL5344176 0.83 BRD4 (0.33) BRD4CREBBP
SCHEMBL5338594 0.82 HTT (0.37) BRD4HTTSMOCHRM1KMT2A
SCHEMBL5332201 0.82 EPHX1 (0.37) BRD4HTTMEN1KMT2ASMN1; SMN2
SCHEMBL4791296 0.81 HTT (0.36) BRD4HTTSMOMEN1KMT2A
SCHEMBL4793592 0.80 TLR7 (0.33) BRD4CREBBPMEN1KMT2A

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 330/4885HTT 4588/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP BRD4 356/4885CREBBP 1098/4885HTT 4440/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 BRD4 130/4885CREBBP 330/4885HTT 4588/4885

“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.