SCHEMBL3547137

SCHEMBL3547137

Cn1cnc2c(N)nc3cc(-c4cccc(CNC(=O)c5cccc(S(C)(=O)=O)c5)c4)sc3c21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRM3 P20309 1/20 0.46
IKBKB O14920 7/20 0.43
MAPK1 P28482 7/20 0.41
CHUK O15111 6/20 0.41
CDK2 P24941 1/20 0.41
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
IKBKE Q14164 1/20 0.41
MTOR P42345 1/20 0.39
KLKB1 P03952 1/20 0.38
MAP4K1 Q92918 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3546623 0.93 IKBKB (0.41) ALDH1A1GAAHSD17B10CHRM3IKBKB
SCHEMBL3546362 0.90 IKBKB (0.51) ALDH1A1GAAHSD17B10CHRM3IKBKB
SCHEMBL3544075 0.87 IKBKB (0.45) IKBKBCHUKCDK2BTKITK
SCHEMBL3545037 0.86 IKBKB (0.43) IKBKBMAPK1CHUKCDK2BTK
SCHEMBL3548732 0.86 WDR5 (0.44) IKBKBCHUKCDK2BTKITK
SCHEMBL3543166 0.85 IKBKB (0.55) IKBKBCHUKCDK2BTKITK
SCHEMBL3548258 0.85 IKBKB (0.43) IKBKBCHUKCDK2BTKITK
SCHEMBL3539869 0.83 IKBKB (0.51) IKBKBCHUKCDK2BTKITK
SCHEMBL3544016 0.83 IKBKB (0.46) IKBKBCHUKCDK2BTKITK
SCHEMBL3548558 0.83 IKBKB (0.46) IKBKBCHUKCDK2BTKITK

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 3 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 claimed
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-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 ALDH1A1 512/4885GAA 3404/4885HSD17B10 2079/4885

“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.