SCHEMBL5030399

SCHEMBL5030399

Cc1c(NCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c2nnnn2c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.38
BCHE P06276 1/20 0.36
ADORA3 P0DMS8 3/20 0.33
ADORA2A P29274 3/20 0.33
MALT1 Q9UDY8 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.32
HTT P42858 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GFER P55789 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
SCHEMBL1490796 0.94 BRD4 (0.44) BRD4
SCHEMBL5340518 0.92 BRD4 (0.36) BRD4BCHEADORA3ADORA2AMEN1
SCHEMBL5027830 0.86 BRD4 (0.31) BRD4
SCHEMBL5031347 0.83 BRD4 (0.40) BRD4BCHEADORA3ADORA2AMALT1
SCHEMBL14208872 0.80 BRD4 (0.33) BRD4
SCHEMBL4793343 0.79 MAPT (0.37) MEN1KMT2AHTTALDH1A1
SCHEMBL4243097 0.79 ALDH1A1 (0.34) MEN1GAAKMT2AHTTALDH1A1
SCHEMBL1490507 0.78 BRD4 (0.43) BRD4
SCHEMBL5616460 0.78 MAPT (0.39) MEN1GAAKMT2AHTTALDH1A1
SCHEMBL5034574 0.77 GAA (0.36) BRD4BCHEADORA3ADORA2AMALT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312434-A1 PROCESS FOR IMIDAZO [4,5-C] PYRIDIN-4-AMINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-18 US disclosed
US-20080312434-A1 PROCESS FOR IMIDAZO [4,5-C] PYRIDIN-4-AMINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-18 US disclosed
US-20050032829-A1 Process for imidazo[4,5-c]pyridin-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 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 (2 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-20080312434-A1 PROCESS FOR IMIDAZO [4,5-C] PYRIDIN-4-AMINES PAICS, HTR4, PNPO BRD4 142/4885BCHE 3210/4885ADORA3 331/4885
US-20050032829-A1 Process for imidazo[4,5-c]pyridin-4-amines PAICS, HTR4, PNPO BRD4 142/4885BCHE 3210/4885ADORA3 331/4885

“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.