Sugi Predict

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SCHEMBL5332485

SCHEMBL5332485

Cc1nc(N)c2ncn(CCCSc3ncccn3)c2c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.36
▸ SLC29A1 Q99808 1/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ALDH1A1 P00352 3/20 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 0.96 SLC29A1 (0.34) KDM1ASLC29A1NPC1RAB9ASMN1; SMN2
SCHEMBL5336050 0.95 ALDH1A1 (0.36) KDM1ASLC29A1NPC1RAB9ASMN1; SMN2
SCHEMBL4794710 0.85 CYP1A2 (0.46) SLC29A1TLR7ADORA2ALMNAPOLB
SCHEMBL4791835 0.84 ADORA2A (0.36) TLR7ADORA2AKMT2ALMNAPOLB
SCHEMBL4791292 0.82 SMN1; SMN2 (0.37) KDM1ASLC29A1NPC1RAB9ASMN1; SMN2
SCHEMBL4793380 0.81 CYP1A2 (0.42) SLC29A1TLR7ADORA2ALMNAPOLB
SCHEMBL5338378 0.81 KDM1A (0.38) KDM1ANPC1RAB9ASMN1; SMN2TLR7
SCHEMBL4792116 0.81 ALDH1A1 (0.43) SLC29A1ADORA2AKMT2ALMNAALDH1A1
SCHEMBL4793511 0.81 CYP1A2 (0.41) SLC29A1TLR7ADORA2ALMNAPOLB
SCHEMBL4793557 0.80 ALDH1A1 (0.37) TLR7ADORA2AKMT2ALMNAPOLB

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 KDM1A 2590/4885SLC29A1 2402/4885NPC1 3237/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP KDM1A 2448/4885SLC29A1 1808/4885NPC1 3418/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 KDM1A 2590/4885SLC29A1 2402/4885NPC1 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.