SCHEMBL3552229

SCHEMBL3552229

Cn1cnc2c(Cl)nc3cc(Br)sc3c21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.42
GRM1 Q13255 1/20 0.33
CHUK O15111 3/20 0.33
CDK1 P06493 1/20 0.32
DPP4 P27487 1/20 0.31
YTHDC1 Q96MU7 1/20 0.31

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
SCHEMBL30598835 0.83 IKBKB (0.42) IKBKBCHUKCDK1
SCHEMBL3549854 0.78 IKBKB (0.46) IKBKBCHUK
SCHEMBL3550030 0.77 IKBKB (0.45) IKBKBCHUKDPP4
SCHEMBL3545560 0.75 CDK1 (0.36) IKBKBGRM1CHUKCDK1YTHDC1
SCHEMBL3548681 0.75 IKBKB (0.41) IKBKBGRM1CHUKCDK1
SCHEMBL3553685 0.73 IKBKB (0.42) IKBKBCHUK
SCHEMBL30598823 0.73 GRM1 (0.35) IKBKBGRM1DPP4
SCHEMBL13444745 0.73 GRM1 (0.35) IKBKBGRM1DPP4
SCHEMBL30621363 0.72 IKBKB (0.47) IKBKBCHUKCDK1
SCHEMBL5657426 0.72 IKBKB (0.47) IKBKBCHUKCDK1

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 4 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 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
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 237/4885GRM1 1624/4885CHUK 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.