SCHEMBL3546286

SCHEMBL3546286

CN(C(=O)OC(C)(C)C)c1nc(C#Cc2ccccc2)c(N)c2c1ncn2C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
PAX8 Q06710 1/20 0.32
GRM4 Q14833 2/20 0.32
GRM5 P41594 2/20 0.31
MAPK14 Q16539 1/20 0.31
PLAU P00749 1/20 0.30
MCL1 Q07820 1/20 0.30
ADORA3 P0DMS8 2/20 0.30
ADORA2A P29274 2/20 0.30
ADORA1 P30542 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
SCHEMBL3552525 0.87 BRD4 (0.32) BRD4PAX8GRM4GRM5
SCHEMBL12341871 0.87 GRM4 (0.32) BRD4PAX8GRM4GRM5MCL1
SCHEMBL3546309 0.85 GPR119 (0.32) BRD4PAX8GRM4
SCHEMBL13444743 0.85 GABRA1 (0.31)
SCHEMBL13463910 0.83 BRD4 (0.39) BRD4PAX8MAPK14MCL1
SCHEMBL12344385 0.79 BRD4 (0.38) BRD4PAX8MAPK14MCL1
SCHEMBL12341917 0.78 EGLN2 (0.32)
SCHEMBL13376585 0.77 IKBKB (0.37) BRD4GRM5ADORA2A
SCHEMBL2767060 0.77 BRD4 (0.32) BRD4
SCHEMBL13376702 0.76 BRD4 (0.31) BRD4GRM5

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
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 BRD4 57/4885PAX8 4362/4885GRM4 1536/4885

“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.