SCHEMBL3544085

SCHEMBL3544085

Cn1cnc2c(N)nc3cc(-c4cccc(CNC(=O)c5csnn5)c4)sc3c21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.59
CHUK O15111 13/20 0.59
CDK2 P24941 1/20 0.42
BTK Q06187 1/20 0.42
ITK Q08881 1/20 0.42
IKBKE Q14164 1/20 0.42
ALDH1A1 P00352 1/20 0.39
DHFR P00374 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CHRM4 P08173 1/20 0.35

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
SCHEMBL3546118 0.90 IKBKB (0.72) IKBKBCHUKCDK2BTKITK
SCHEMBL3543166 0.87 IKBKB (0.55) IKBKBCHUKCDK2BTKITK
SCHEMBL3540510 0.87 CYP1A2 (0.45) IKBKBCHUKCDK2BTKITK
SCHEMBL3544075 0.86 IKBKB (0.45) IKBKBCHUKCDK2BTKITK
SCHEMBL3552707 0.85 IKBKB (0.44) IKBKBCHUKCDK2BTKITK
SCHEMBL3546968 0.85 IKBKB (0.44) IKBKBCHUKCDK2BTKITK
SCHEMBL3548558 0.85 IKBKB (0.46) IKBKBCHUKCDK2BTKITK
SCHEMBL3544016 0.85 IKBKB (0.46) IKBKBCHUKCDK2BTKITK
SCHEMBL3543608 0.84 IKBKB (0.45) IKBKBCHUKCDK2BTKITK
SCHEMBL3548046 0.84 IKBKB (0.50) 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 IKBKB 237/4885CHUK 828/4885CDK2 494/4885

“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.