SCHEMBL3545560

SCHEMBL3545560

Cn1cnc2c(Cl)nc3c(Br)c(Br)sc3c21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.36
YTHDC1 Q96MU7 1/20 0.34
IKBKB O14920 4/20 0.33
CHUK O15111 3/20 0.33
GRM1 Q13255 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL3552229 0.75 IKBKB (0.42) CDK1YTHDC1IKBKBCHUKGRM1
SCHEMBL3548064 0.75 IKBKB (0.41) IKBKBCHUKGRM1
SCHEMBL30621363 0.73 IKBKB (0.47) CDK1IKBKBCHUK
SCHEMBL5657426 0.73 IKBKB (0.47) CDK1IKBKBCHUK
SCHEMBL3548681 0.70 IKBKB (0.41) CDK1IKBKBCHUKGRM1
SCHEMBL14589120 0.69 IKBKB (0.49) IKBKBCHUK
SCHEMBL13444740 0.68 IKBKB (0.51) YTHDC1IKBKBCHUK
SCHEMBL31330037 0.67 CDK1 (0.37) CDK1YTHDC1IKBKBCHUKHSP90AA1
SCHEMBL14014418 0.67 IKBKB (0.47) CDK1IKBKBCHUK
SCHEMBL25241852 0.66 CDK1 (0.35) CDK1YTHDC1GRM1

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 CDK1 488/4885YTHDC1 3602/4885IKBKB 237/4885

“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.