SCHEMBL3544075

SCHEMBL3544075

Cn1cnc2c(N)nc3cc(-c4cccc(CNC(=O)c5ccncc5)c4)sc3c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.45
CHUK O15111 8/20 0.45
CDK2 P24941 1/20 0.44
BTK Q06187 1/20 0.44
ITK Q08881 1/20 0.44
IKBKE Q14164 1/20 0.44
WDR5 P61964 1/20 0.43
ROCK2 O75116 8/20 0.41
ROCK1 Q13464 6/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
RAD52 P43351 1/20 0.41
PRKACA P17612 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PRKX P51817 1/20 0.40
PRKCQ Q04759 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
AURKA O14965 1/20 0.39

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
SCHEMBL3548732 0.92 WDR5 (0.44) IKBKBCHUKCDK2BTKITK
SCHEMBL3548258 0.92 IKBKB (0.43) IKBKBCHUKCDK2BTKITK
SCHEMBL3546623 0.90 IKBKB (0.41) IKBKBCHUKCDK2BTKITK
SCHEMBL3550471 0.89 IKBKB (0.55) IKBKBCHUKCDK2BTKITK
SCHEMBL3543166 0.89 IKBKB (0.55) IKBKBCHUKCDK2BTKITK
SCHEMBL3547137 0.87 ALDH1A1 (0.46) IKBKBCHUKCDK2BTKITK
SCHEMBL3544016 0.87 IKBKB (0.46) IKBKBCHUKCDK2BTKITK
SCHEMBL3548558 0.87 IKBKB (0.46) IKBKBCHUKCDK2BTKITK
SCHEMBL3543608 0.86 IKBKB (0.45) IKBKBCHUKCDK2BTKITK
SCHEMBL3544085 0.86 IKBKB (0.59) 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.