SCHEMBL3545985

SCHEMBL3545985

Cn1cnc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3cc(Br)sc3c21

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.34
PDPK1 O15530 1/20 0.32
CHUK O15111 2/20 0.31
PAX8 Q06710 1/20 0.30

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
SCHEMBL3543455 0.82 ADORA2B (0.33) IKBKBPDPK1CHUK
SCHEMBL3545686 0.80 MAPK14 (0.39) IKBKBPDPK1CHUK
SCHEMBL13444738 0.78 IKBKB (0.35) IKBKBCHUKPAX8
SCHEMBL31541937 0.72 LCK (0.43) IKBKB
SCHEMBL3552229 0.71 IKBKB (0.42) IKBKBCHUK
SCHEMBL30598835 0.71 IKBKB (0.42) IKBKBCHUK
SCHEMBL3882638 0.67 IKBKB (0.38) IKBKBCHUKPAX8
SCHEMBL3882326 0.67 IKBKB (0.32) IKBKBCHUKPAX8
SCHEMBL18120918 0.67 MAP2K4 (0.33) PDPK1
SCHEMBL13444737 0.67 PAX8 (0.31) IKBKBCHUKPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683171-B2 N,1-Dimethyl-7-phenyl-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-4-amine; treating inflammatory and immune diseases; cancer; I kappa B kinase (IKK) inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-23 US disclosed
US-7683171-B2 N,1-Dimethyl-7-phenyl-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-4-amine; treating inflammatory and immune diseases; cancer; I kappa B kinase (IKK) inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-23 US disclosed
US-7683171-B2 N,1-Dimethyl-7-phenyl-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-4-amine; treating inflammatory and immune diseases; cancer; I kappa B kinase (IKK) inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-23 US disclosed
WO-2007044050-A2 1H-IMIDAZO[4,5-D]THIENO[3,2-B]PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-19 WO disclosed
US-20060178393-A1 1H-imidazo[4,5-d]thieno[3,2-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 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 (1 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-20060178393-A1 1H-imidazo[4,5-d]thieno[3,2-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same IL4, IL5, IRAK4 IKBKB 237/4885PDPK1 1875/4885CHUK 828/4885

“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.