SCHEMBL4794642

SCHEMBL4794642

COC(C)c1nc2c(N)ncc(C)c2n1CCCCS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.33
MTOR P42345 4/20 0.33
CA2 P00918 2/20 0.32
HASPIN Q8TF76 1/20 0.31

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
SCHEMBL4792102 0.99 PIK3CA (0.32) PIK3CAMTORCA2HASPIN
SCHEMBL4793723 0.97 PIK3CA (0.33) PIK3CAMTORCA2
SCHEMBL4791876 0.87 HASPIN (0.32) PIK3CAMTORCA2HASPIN
SCHEMBL4793626 0.87 HASPIN (0.31) PIK3CACA2HASPIN
SCHEMBL4792949 0.86 CA2 (0.36) PIK3CAMTORCA2HASPIN
SCHEMBL5341814 0.85 CA2 (0.36) PIK3CACA2HASPIN
SCHEMBL4794260 0.85 HSP90B1 (0.38)
SCHEMBL4793705 0.85 PIK3CA (0.32) PIK3CAMTORCA2HASPIN
SCHEMBL4795249 0.84 HSP90B1 (0.38)
SCHEMBL4791320 0.84 TLR7 (0.39) PIK3CACA2HASPIN

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 PIK3CA 2460/4885MTOR 2040/4885CA2 4028/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP PIK3CA 3274/4885MTOR 1329/4885CA2 3778/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 PIK3CA 2460/4885MTOR 2040/4885CA2 4028/4885

“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.