SCHEMBL5034574

SCHEMBL5034574

CCOCC(=O)Nc1c(NCCNC(=O)OC(C)(C)C)c(C)c(C)n2nnnc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
BRD4 O60885 9/20 0.35
BCHE P06276 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GFER P55789 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
TSHR P16473 1/20 0.31
GBA1 P04062 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 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
SCHEMBL5030517 0.89 GAA (0.40) GAAALDH1A1TSHR
SCHEMBL5031347 0.80 BRD4 (0.40) GAABRD4BCHEADORA3ADORA2A
SCHEMBL5030399 0.77 BRD4 (0.38) GAABRD4BCHEADORA3ADORA2A
SCHEMBL5339810 0.75 ADORA2A (0.39) GAABRD4BCHEADORA3ADORA2A
SCHEMBL1490507 0.75 BRD4 (0.43) BRD4
SCHEMBL5340518 0.72 BRD4 (0.36) GAABRD4BCHEADORA3ADORA2A
SCHEMBL1490796 0.72 BRD4 (0.44) BRD4
SCHEMBL1456618 0.69 BCHE (0.46) GAABRD4BCHEALDH1A1MALT1
SCHEMBL6097431 0.67 BRD4 (0.39) GAABRD4BCHE
SCHEMBL5030370 0.66 GAA (0.31) GAA

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-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-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 GAA 3441/4885BRD4 142/4885BCHE 3210/4885
US-20050032829-A1 Process for imidazo[4,5-c]pyridin-4-amines PAICS, HTR4, PNPO GAA 3441/4885BRD4 142/4885BCHE 3210/4885

“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.