Sugi Predict

Sugi Predict / Compounds / SCHEMBL3543455

SCHEMBL3543455

SCHEMBL3543455

Cn1cnc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3ccsc3c21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 10/20 0.33
▸ ADORA2A P29274 9/20 0.33
▸ IKBKB O14920 3/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ ADORA1 P30542 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ CHUK O15111 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
SCHEMBL3545985 0.82 IKBKB (0.34) IKBKBPDPK1CHUK
SCHEMBL3552048 0.81 RXFP1 (0.37) ADORA2BADORA2AMEN1KMT2AALDH1A1
SCHEMBL3545686 0.77 MAPK14 (0.39) IKBKBPDPK1CHUK
SCHEMBL13444738 0.72 IKBKB (0.35) IKBKBCHUK
SCHEMBL3548681 0.71 IKBKB (0.41) ADORA2AIKBKBADORA1MEN1KMT2A
SCHEMBL30528116 0.71 IKBKB (0.41) ADORA2BADORA2AIKBKBADORA1MEN1
SCHEMBL14543267 0.71 IKBKB (0.32) IKBKBGBA1CHUK
SCHEMBL13444748 0.70 TLR7 (0.48) IKBKB
SCHEMBL30528134 0.68 ADORA2A (0.42) ADORA2BADORA2AIKBKBADORA1MEN1
SCHEMBL1909302 0.68 ADORA2B (0.33) ADORA2BADORA2APDPK1GBA1

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 ADORA2B 120/4885ADORA2A 329/4885IKBKB 237/4885

“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.