Sugi Predict

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SCHEMBL5336050

SCHEMBL5336050

Cc1nc(N)c2ncn(CCCCCSc3ncccn3)c2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SLC29A1 Q99808 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ ADRA1D P25100 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
SCHEMBL4794119 0.99 SLC29A1 (0.34) ALDH1A1TDP1SLC29A1KMT2AHSD17B10
SCHEMBL5332485 0.95 KDM1A (0.36) ALDH1A1TDP1SLC29A1KMT2AHSD17B10
SCHEMBL4793511 0.85 CYP1A2 (0.41) ALDH1A1TDP1SLC29A1KDM4ETLR7
SCHEMBL4794719 0.84 ALDH1A1 (0.39) ALDH1A1TDP1KMT2ATSHRGAA
SCHEMBL4793380 0.84 CYP1A2 (0.42) ALDH1A1SLC29A1KDM4ETLR7LMNA
SCHEMBL4793557 0.83 ALDH1A1 (0.37) ALDH1A1TDP1KMT2ATSHRGAA
SCHEMBL4790949 0.83 ALDH1A1 (0.36) ALDH1A1TDP1SLC29A1KMT2AHSD17B10
SCHEMBL5339315 0.82 KDM1A (0.34) ALDH1A1TDP1KMT2AHSD17B10MEN1
SCHEMBL5339823 0.81 SMN1; SMN2 (0.36) ALDH1A1TDP1SLC29A1KMT2AHSD17B10
SCHEMBL4792763 0.81 ALDH1A1 (0.47) ALDH1A1TDP1KMT2ATSHRGAA

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 ALDH1A1 1803/4885TDP1 2306/4885SLC29A1 2402/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP ALDH1A1 940/4885TDP1 2716/4885SLC29A1 1808/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 ALDH1A1 1803/4885TDP1 2306/4885SLC29A1 2402/4885

“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.