Sugi Predict

Sugi Predict / Compounds / SCHEMBL3545686

SCHEMBL3545686

SCHEMBL3545686

Cn1cnc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3cc(-c4cccc(F)c4)sc3c21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.39
▸ STK17B O94768 1/20 0.38
▸ IKBKB O14920 11/20 0.35
▸ CHUK O15111 5/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ PDPK1 O15530 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ TRPM8 Q7Z2W7 3/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ ITK Q08881 1/20 0.32
▸ IKBKE Q14164 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
SCHEMBL3545985 0.80 IKBKB (0.34) IKBKBCHUKPDPK1
SCHEMBL3543455 0.77 ADORA2B (0.33) IKBKBCHUKPDPK1
SCHEMBL3553685 0.77 IKBKB (0.42) MAPK14STK17BIKBKBCHUKKDM4C
SCHEMBL3544776 0.77 IKBKB (0.47) MAPK14STK17BIKBKBCHUKKDM4C
Hydrochloric Acid SCHEMBL3546341 0.76 IKBKB (0.46) MAPK14STK17BIKBKBCHUKKDM4C
SCHEMBL3548041 0.75 IKBKB (0.61) IKBKBCHUKCDK2BTKITK
SCHEMBL13444738 0.72 IKBKB (0.35) IKBKBCHUK
SCHEMBL3547164 0.71 CHUK (0.44) IKBKBCHUKCDK2BTKITK
SCHEMBL3547161 0.71 IKBKB (0.37) IKBKBCHUKJAK2
Trifluoroacetic Acid SCHEMBL3543648 0.70 TLR7 (0.43) STK17BIKBKBCHUKHDAC6JAK2

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 MAPK14 3812/4885STK17B 2548/4885IKBKB 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.