SCHEMBL4777348

SCHEMBL4777348

Cc1nc(Oc2ccccc2)c(NCCOCc2ccccc2)c(N)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
JAK2 O60674 1/20 0.33
NAAA Q02083 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4775733 0.87 FES (0.35) GBA1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL4766860 0.82 LMNA (0.41) MAPTL3MBTL1HTTSMN1; SMN2ALDH1A1
SCHEMBL4775196 0.80 ALDH1A1 (0.44) MAPTL3MBTL1HTTALDH1A1ATP4A
SCHEMBL6713344 0.79 CYP2C19 (0.42) GBA1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5332845 0.79 STK17A (0.38) CYP1A2MAPTCYP2C9CYP2C19TLR8
SCHEMBL4772034 0.78 HTR7 (0.42) ALDH1A1
SCHEMBL5343269 0.78 STK17A (0.37) CYP1A2MAPTCYP2C9CYP2C19TLR8
SCHEMBL4769232 0.77 STK17A (0.36) TLR8TLR7HTTALDH1A1LMNA
SCHEMBL4841863 0.76 NPC1 (0.38) GBA1MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL5117067 0.76 MAPT (0.39) CYP1A2MAPTCYP2C9CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
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
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP 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
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO 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 GBA1 1802/4885CYP1A2 789/4885MAPT 4044/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP GBA1 1974/4885CYP1A2 1084/4885MAPT 4354/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 GBA1 1802/4885CYP1A2 789/4885MAPT 4044/4885

“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.