SCHEMBL3788892

SCHEMBL3788892

Nc1nc(-c2ncco2)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADORA1 P30542 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ROCK1 Q13464 2/20 0.34
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34
PRKACA P17612 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3789471 0.79 MERTK (0.39) KCNJ1KCNH2TDP1ALDH1A1
SCHEMBL4050005 0.75 ADORA2A (0.47) CDK5ADORA1MEN1KMT2ATDP1
SCHEMBL3790681 0.73 DYRK1A (0.53) CLK1GSK3BCDK5CDK5R1MEN1
SCHEMBL3791247 0.73 ALDH1A1 (0.36) KCNJ1KCNH2TSHRTDP1ALDH1A1
SCHEMBL3789449 0.72 MAP2K3 (0.44) MEN1PSMD14PRKACACASP6KMT2A
SCHEMBL11236516 0.71 MAP4K4 (0.51) CLK1GSK3BCDK5CDK5R1MEN1
SCHEMBL3790043 0.71 ADORA2B (0.43) GSK3BKCNJ1KCNH2ADORA1MAPT
SCHEMBL14988101 0.71 KCNJ1 (0.46) KCNJ1KCNH2MEN1KMT2ATDP1
SCHEMBL3790046 0.71 DYRK1A (0.45) CLK1KCNJ1KCNH2ADORA1ALDH1A1
SCHEMBL5309674 0.71 GSK3B (0.44) CLK1GSK3BCDK5CDK5R1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
CN-101326181-A Imidazopyridine derivatives as a2b adenosine receptor antagonists ALMIRALL LAB (ES) 2008-12-17 CN disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
EP-1931666-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-06-18 EP disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 WO disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 WO 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-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 CLK1 2037/4885GSK3B 4262/4885CDK5 1285/4885

“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.