SCHEMBL4792595

SCHEMBL4792595

Cc1cnc(N)c2ncn(CCCCCSc3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.39
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA2A P29274 3/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4791810 0.99 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL4794545 0.95 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL4790949 0.85 ALDH1A1 (0.36) LMNAHPGDSMN1; SMN2ALDH1A1TDP1
SCHEMBL5339823 0.84 SMN1; SMN2 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL4793511 0.83 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL4793380 0.82 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL4795057 0.82 AHCY (0.40) CYP1A2LMNAHPGDSMN1; SMN2MAPK13
SCHEMBL4792883 0.80 ALDH1A1 (0.48) CYP1A2CYP3A4LMNAALDH1A1TDP1
SCHEMBL4791292 0.80 SMN1; SMN2 (0.37) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL4794348 0.80 TLR7 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19LMNA

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 CYP1A2 789/4885CYP2D6 785/4885CYP2C9 1586/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP CYP1A2 1084/4885CYP2D6 578/4885CYP2C9 1352/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 CYP1A2 789/4885CYP2D6 785/4885CYP2C9 1586/4885

“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.