Sugi Predict

Sugi Predict / Compounds / SCHEMBL3553685

SCHEMBL3553685

SCHEMBL3553685

Cn1cnc2c(Cl)nc3cc(-c4cccc(F)c4)sc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.42
▸ CHUK O15111 2/20 0.42
▸ STK17B O94768 1/20 0.39
▸ MAPK14 Q16539 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ FLT3 P36888 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ NT5E P21589 1/20 0.33

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
SCHEMBL3549854 0.90 IKBKB (0.46) IKBKBCHUKRAB9ANPC1KDM4E
SCHEMBL3550030 0.89 IKBKB (0.45) IKBKBCHUKRAB9ANPC1RAD52
SCHEMBL3544776 0.87 IKBKB (0.47) IKBKBCHUKSTK17BMAPK14RAB9A
Hydrochloric Acid SCHEMBL3546341 0.86 IKBKB (0.46) IKBKBCHUKSTK17BMAPK14RAB9A
SCHEMBL3548041 0.85 IKBKB (0.61) IKBKBCHUKTYK2
SCHEMBL13444749 0.84 IKBKB (0.45) IKBKBCHUKRAB9ANPC1KDM4E
Hydrochloric Acid SCHEMBL3552583 0.83 IKBKB (0.44) IKBKBCHUKRAB9ANPC1KDM4E
SCHEMBL14542984 0.79 IKBKB (0.41) IKBKBCHUKMAPK14KDM4CPTGS2
SCHEMBL3548064 0.78 IKBKB (0.41) IKBKBCHUKMAPK14KDM4CFLT3
SCHEMBL3545686 0.77 MAPK14 (0.39) IKBKBCHUKSTK17BMAPK14KDM4C

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 237/4885CHUK 828/4885STK17B 2548/4885

“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.