SCHEMBL3549238

SCHEMBL3549238

CN1CCC(C(=O)NCc2cccc(-c3cc4nc(N)c5ncn(C)c5c4s3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.42
IKBKB O14920 6/20 0.42
CHUK O15111 4/20 0.42
CDK2 P24941 1/20 0.42
BTK Q06187 1/20 0.42
ITK Q08881 1/20 0.42
IKBKE Q14164 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MAP4K4 O95819 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
KMT2A Q03164 4/20 0.39
WDR5 P61964 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.38
MAPK1 P28482 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
SCHEMBL3546280 0.95 CHKA (0.46) CHKAIKBKBCHUKCDK2BTK
SCHEMBL3549133 0.90 IKBKB (0.52) IKBKBCHUKCDK2BTKITK
SCHEMBL3543166 0.86 IKBKB (0.55) IKBKBCHUKCDK2BTKITK
SCHEMBL3550281 0.85 IKBKB (0.55) IKBKBCHUKCDK2BTKITK
SCHEMBL3548558 0.84 IKBKB (0.46) IKBKBCHUKCDK2BTKITK
SCHEMBL3544016 0.84 IKBKB (0.46) IKBKBCHUKCDK2BTKITK
SCHEMBL3543608 0.84 IKBKB (0.45) IKBKBCHUKCDK2BTKITK
SCHEMBL3551480 0.83 IKBKB (0.43) IKBKBCHUKCDK2BTKITK
SCHEMBL3546968 0.83 IKBKB (0.44) IKBKBCHUKCDK2BTKITK
SCHEMBL3552707 0.83 IKBKB (0.44) 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 6 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-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 CHKA 1427/4885IKBKB 237/4885CHUK 828/4885

“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.