SCHEMBL3546309

SCHEMBL3546309

CN(C(=O)OC(C)(C)C)c1nc(C#Cc2ccccc2)c([N+](=O)[O-])c2c1ncn2C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.32
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
PAX8 Q06710 1/20 0.30
SLC29A1 Q99808 1/20 0.30
GRM4 Q14833 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
SCHEMBL13444742 0.86
SCHEMBL3546286 0.85 BRD4 (0.32) BRD4PAX8GRM4
SCHEMBL3552525 0.84 BRD4 (0.32) BRD4PAX8GRM4
SCHEMBL14543229 0.84 BRD4 (0.38) GPR119BRD4ALDH1A1LMNAMAPT
SCHEMBL3546162 0.80 KDM4E (0.33) GPR119
SCHEMBL12341871 0.80 GRM4 (0.32) BRD4PAX8GRM4
SCHEMBL14543269 0.80 RAB9A (0.32)
SCHEMBL12344385 0.74 BRD4 (0.38) BRD4ALDH1A1LMNAHTTPAX8
SCHEMBL13463910 0.73 BRD4 (0.39) BRD4PAX8
SCHEMBL12341917 0.71 EGLN2 (0.32) GPR119

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 GPR119 214/4885BRD4 57/4885ALDH1A1 512/4885

“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.