SCHEMBL3548064

SCHEMBL3548064

Cn1cnc2c(Cl)nc3c(Br)c(-c4cccc(F)c4)sc3c21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.41
CHUK O15111 5/20 0.41
MAPK14 Q16539 1/20 0.34
PTGS2 P35354 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
FLT3 P36888 1/20 0.32
PDE7A Q13946 1/20 0.31
GRM1 Q13255 1/20 0.30
F2RL3 Q96RI0 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL14542984 0.88 IKBKB (0.41) IKBKBCHUKMAPK14PTGS2TRPM8
SCHEMBL3546468 0.85 IKBKB (0.56) IKBKBCHUK
SCHEMBL3553685 0.78 IKBKB (0.42) IKBKBCHUKMAPK14PTGS2KDM4C
SCHEMBL3545560 0.75 CDK1 (0.36) IKBKBCHUKGRM1
SCHEMBL14543180 0.74 IKBKB (0.57) IKBKBCHUK
SCHEMBL3549854 0.69 IKBKB (0.46) IKBKBCHUKPDE7A
SCHEMBL3550030 0.68 IKBKB (0.45) IKBKBCHUK
SCHEMBL3544776 0.67 IKBKB (0.47) IKBKBCHUKMAPK14KDM4CADORA3
Hydrochloric Acid SCHEMBL3546341 0.67 IKBKB (0.46) IKBKBCHUKMAPK14KDM4CADORA3
SCHEMBL3552229 0.67 IKBKB (0.42) IKBKBCHUKGRM1

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 237/4885CHUK 828/4885MAPK14 3812/4885

“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.