SCHEMBL5339823

SCHEMBL5339823

Cc1cnc(N)c2ncn(CCCCSc3ncccn3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
KMT2A Q03164 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 3/20 0.36
AHCY P23526 1/20 0.36
ADORA2A P29274 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
KDM1A O60341 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC29A1 Q99808 1/20 0.33

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
SCHEMBL4790949 0.99 ALDH1A1 (0.36) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL4791292 0.96 SMN1; SMN2 (0.37) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL4791810 0.85 CYP1A2 (0.43) SMN1; SMN2AHCYADORA2AALDH1A1MAPT
SCHEMBL4792595 0.84 CYP1A2 (0.42) SMN1; SMN2AHCYADORA2AALDH1A1TDP1
SCHEMBL4795057 0.84 AHCY (0.40) SMN1; SMN2KMT2AAHCYADORA2AALDH1A1
SCHEMBL4794119 0.82 SLC29A1 (0.34) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL5336050 0.81 ALDH1A1 (0.36) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL4794545 0.81 CYP1A2 (0.46) SMN1; SMN2AHCYADORA2AMAPTLMNA
SCHEMBL4794498 0.81 ALDH1A1 (0.46) KMT2AAHCYADORA2AALDH1A1TDP1
SCHEMBL5338951 0.80 NPC1 (0.36) SMN1; SMN2KMT2ANPC1RAB9AMEN1

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 SMN1; SMN2 2887/4885KMT2A 2883/4885NPC1 3237/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP SMN1; SMN2 4130/4885KMT2A 3405/4885NPC1 3418/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 SMN1; SMN2 2887/4885KMT2A 2883/4885NPC1 3237/4885

“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.