SCHEMBL3548732

SCHEMBL3548732

Cn1cnc2c(N)nc3cc(-c4cccc(CNC(=O)c5cccnc5)c4)sc3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.44
NPC1 O15118 1/20 0.44
RAD52 P43351 1/20 0.44
IKBKB O14920 3/20 0.43
CHUK O15111 3/20 0.43
CDK2 P24941 1/20 0.42
BTK Q06187 1/20 0.42
ITK Q08881 1/20 0.42
IKBKE Q14164 1/20 0.42
ROCK2 O75116 5/20 0.41
NPR1 P16066 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
NAMPT P43490 2/20 0.40
PSMD14 O00487 1/20 0.40
STAMBP O95630 1/20 0.40
LIMK1 P53667 1/20 0.39
LIMK2 P53671 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
SCHEMBL3544075 0.92 IKBKB (0.45) WDR5RAD52IKBKBCHUKCDK2
SCHEMBL3548258 0.91 IKBKB (0.43) WDR5RAD52IKBKBCHUKCDK2
SCHEMBL3545447 0.90 IKBKB (0.52) WDR5NPC1IKBKBCHUKCDK2
SCHEMBL3547137 0.86 ALDH1A1 (0.46) IKBKBCHUKCDK2BTKITK
SCHEMBL3543166 0.86 IKBKB (0.55) IKBKBCHUKCDK2BTKITK
SCHEMBL3546623 0.85 IKBKB (0.41) RAD52IKBKBCHUKCDK2BTK
SCHEMBL3544016 0.84 IKBKB (0.46) IKBKBCHUKCDK2BTKITK
SCHEMBL3548558 0.84 IKBKB (0.46) IKBKBCHUKCDK2BTKITK
SCHEMBL3543608 0.84 IKBKB (0.45) IKBKBCHUKCDK2BTKITK
SCHEMBL3544085 0.83 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 WDR5 800/4885NPC1 1874/4885RAD52 3884/4885

“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.