SCHEMBL5336830

SCHEMBL5336830

Cc1nc(N)c2nc(CC3CC3)n(CCOCCN(C)S(=O)(=O)c3cccc4cccnc34)c2c1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.39
HTR2A P28223 7/20 0.39
HTR2C P28335 7/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.38
HTR6 P50406 2/20 0.37
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 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
SCHEMBL4795110 0.89 ALDH1A1 (0.40) HTR7ALDH1A1HPGDMAPTHTR6
SCHEMBL5335105 0.87 HTR7 (0.39) HTR7HTR2AHTR2CALDH1A1HPGD
SCHEMBL4793128 0.86 POLB (0.47) HTR7ALDH1A1HPGDMAPTHTR6
SCHEMBL4793491 0.82 TLR7 (0.34)
SCHEMBL4792195 0.80 TLR7 (0.36)
SCHEMBL4792832 0.79 HTR7 (0.38) HTR7HTR2AHTR2CALDH1A1HPGD
SCHEMBL4792639 0.76 TLR7 (0.36) ALDH1A1MAPTTSHRPOLBTP53
SCHEMBL4795533 0.75 ALDH1A1 (0.40) HTR7ALDH1A1HPGDMAPTHTR6
SCHEMBL4791345 0.74 ALDH1A1 (0.40) HTR7HTR2AHTR2CALDH1A1HPGD
SCHEMBL4791323 0.74 TLR7 (0.35)

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 HTR7 4449/4885HTR2A 4759/4885HTR2C 4186/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP HTR7 4341/4885HTR2A 4771/4885HTR2C 4233/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 HTR7 4449/4885HTR2A 4759/4885HTR2C 4186/4885

“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.