SCHEMBL6096014

SCHEMBL6096014

Cc1nc(N)c2ncn(C(C)CCNC(=O)[C@@H]3C[C@H]3c3ccccc3)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.46
ALDH1A1 P00352 2/20 0.40
CHRNA7 P36544 3/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL6096010 1.00 SIGMAR1 (0.46) SIGMAR1ALDH1A1CHRNA7DRD2DRD3
SCHEMBL6769793 0.78 SIGMAR1 (0.51) SIGMAR1ALDH1A1DRD2DRD3HDAC4
SCHEMBL6769791 0.78 SIGMAR1 (0.51) SIGMAR1ALDH1A1DRD2DRD3HDAC4
SCHEMBL6097918 0.77 SIGMAR1 (0.47) SIGMAR1ALDH1A1DRD2DRD3HDAC4
SCHEMBL6097924 0.77 SIGMAR1 (0.47) SIGMAR1ALDH1A1DRD2DRD3HDAC4
SCHEMBL5338885 0.74 SIGMAR1 (0.44) SIGMAR1ALDH1A1DRD2DRD3
SCHEMBL5338890 0.74 SIGMAR1 (0.44) SIGMAR1ALDH1A1DRD2DRD3
SCHEMBL27476111 0.73 TLR7 (0.53)
SCHEMBL6111303 0.72 TLR7 (0.43) SIGMAR1ALDH1A1DRD2DRD3MEN1
SCHEMBL6111300 0.72 TLR7 (0.43) SIGMAR1ALDH1A1DRD2DRD3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-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 3529/4885ALDH1A1 1693/4885CHRNA7 4668/4885
US-20050282854-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG SIGMAR1 3529/4885ALDH1A1 1693/4885CHRNA7 4668/4885
US-20030162806-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG SIGMAR1 3529/4885ALDH1A1 1693/4885CHRNA7 4668/4885
US-20030186949-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG SIGMAR1 3529/4885ALDH1A1 1693/4885CHRNA7 4668/4885

“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.