SCHEMBL6094589

SCHEMBL6094589

CC(=O)NCCCn1c(C)nc2c(N)nc(C)c(C)c21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.37
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
HSP90AA1 P07900 2/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
TLR7 Q9NYK1 4/20 0.33
RXRA P19793 1/20 0.33
PAOX Q6QHF9 2/20 0.33
TP53 P04637 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
SCHEMBL6110335 0.92 KDM4E (0.39) MTNR1AMTNR1BHSP90AA1KDM4EMAPK1
Hydrochloric Acid SCHEMBL6110768 0.91 KDM4E (0.38) MTNR1AMTNR1BHSP90AA1KDM4EMAPK1
SCHEMBL6097539 0.87 KMT2A (0.36) MTNR1AMTNR1BPIM1CSNK2A2CSNK2B
SCHEMBL6775775 0.87 EPHX1 (0.37) KDM4ETLR7
SCHEMBL6776898 0.85 EPHX1 (0.37) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6773171 0.85 TSHR (0.38) MTNR1AMTNR1BHSP90AA1KDM4EMAPK1
SCHEMBL6773502 0.85 TLR7 (0.37) TLR7
SCHEMBL6094643 0.83 TLR7 (0.49) DYRK1AMTNR1AMTNR1BTLR7
SCHEMBL6096436 0.82 TLR7 (0.41) TLR7
SCHEMBL6780600 0.82 NAAA (0.41) KDM4ETP53

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186128-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-23 US claimed
EP-1451187-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2004-09-01 EP claimed
US-20030186949-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-10-02 US claimed
US-20030162806-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-08-28 US claimed
WO-2003050118-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO claimed
US-6545016-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US claimed
US-7098221-B2 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-29 US disclosed
US-20050282854-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2005-12-22 US disclosed
US-6969722-B2 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-11-29 US disclosed
US-6903113-B2 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-07 US disclosed
US-6878719-B2 Sulfonamido substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-12 US disclosed
US-20040186128-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-23 US disclosed
EP-1453829-A1 SULFONAMIDO SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2004-09-08 EP disclosed
US-20030162806-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-08-28 US disclosed
WO-2003050119-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
WO-2003050117-A1 SULFONAMIDO SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
WO-2003050118-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
US-6545016-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US disclosed
US-6545017-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US disclosed
US-6525064-B1 Immune response modifiers; can induce the biosynthesis of various cytokines; 3M INNOVATIVE PROPERTIES COMPANY 2003-02-25 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 (4 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-20040186128-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG DYRK1A 4579/4885MTNR1A 2648/4885MTNR1B 2509/4885
US-20050282854-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG DYRK1A 4579/4885MTNR1A 2648/4885MTNR1B 2509/4885
US-20030162806-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG DYRK1A 4579/4885MTNR1A 2648/4885MTNR1B 2509/4885
US-20030186949-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG DYRK1A 4579/4885MTNR1A 2648/4885MTNR1B 2509/4885

“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.