SCHEMBL6093725

SCHEMBL6093725

CCOCc1nc2c(N)ncc(C)c2n1C(C)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR7 Q9NYK1 2/20 0.37
CHRNA7 P36544 6/20 0.37
ALDH1A1 P00352 1/20 0.36
GPR88 Q9GZN0 2/20 0.36
TLR8 Q9NR97 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.34
MAP4K1 Q92918 1/20 0.34

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
SCHEMBL6093721 1.00 SIGMAR1 (0.41) SIGMAR1MEN1KMT2ATLR7CHRNA7
SCHEMBL6779407 0.85 DRD2 (0.42) SIGMAR1TLR7ALDH1A1TLR8DRD2
SCHEMBL6779411 0.85 DRD2 (0.42) SIGMAR1TLR7ALDH1A1TLR8DRD2
SCHEMBL6096520 0.84 SIGMAR1 (0.41) SIGMAR1MEN1KMT2ATLR7CHRNA7
SCHEMBL6096524 0.84 SIGMAR1 (0.41) SIGMAR1MEN1KMT2ATLR7CHRNA7
SCHEMBL6111300 0.76 TLR7 (0.43) SIGMAR1MEN1KMT2ATLR7ALDH1A1
SCHEMBL6111303 0.76 TLR7 (0.43) SIGMAR1MEN1KMT2ATLR7ALDH1A1
SCHEMBL6287386 0.73 TLR7 (0.40) TLR7TLR8
SCHEMBL6096010 0.71 SIGMAR1 (0.46) SIGMAR1MEN1KMT2ACHRNA7ALDH1A1
SCHEMBL6096014 0.71 SIGMAR1 (0.46) SIGMAR1MEN1KMT2ACHRNA7ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040186128-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-23 US disclosed
US-6720422-B2 MODULATORS OF IMMUNE RESPONSE BY INDUCTION OF CYTOKINE BIOSYNTHESIS; SUBSTITUTED 4-PHENOXY-IMIDAZO(4,5-C)PYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US disclosed
US-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US disclosed
US-20030186949-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-10-02 US disclosed
US-20030162806-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-08-28 US disclosed
US-6545016-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 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 SIGMAR1 3529/4885MEN1 3701/4885KMT2A 1662/4885
US-20050282854-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG SIGMAR1 3529/4885MEN1 3701/4885KMT2A 1662/4885
US-20030162806-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG SIGMAR1 3529/4885MEN1 3701/4885KMT2A 1662/4885
US-20030186949-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG SIGMAR1 3529/4885MEN1 3701/4885KMT2A 1662/4885

“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.