SCHEMBL4843765

SCHEMBL4843765

COc1c(Cl)cnc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.50
TNKS2 Q9H2K2 4/20 0.50
PARP2 Q9UGN5 2/20 0.50
NPBWR1 P48145 5/20 0.45
NPC1 O15118 4/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 4/20 0.45
RAB9A P51151 4/20 0.45
PARP1 P09874 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
NFKB1 P19838 2/20 0.45
MAPK1 P28482 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
GAA P10253 1/20 0.45
STAT1 P42224 1/20 0.45
SAE1 Q9UBE0 1/20 0.45

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
SCHEMBL4845766 0.85 MAPT (0.46) TNKSTNKS2PARP2NPBWR1NPC1
SCHEMBL4839593 0.81 MEN1 (0.48) TNKSTNKS2PARP2NPC1MAPT
SCHEMBL4840471 0.77 CXCR2 (0.45) TNKSTNKS2PARP2NPBWR1NPC1
SCHEMBL4844297 0.76 JAK1 (0.44)
SCHEMBL5251968 0.70 NPC1 (0.59) TNKSTNKS2PARP2NPBWR1NPC1
SCHEMBL2152867 0.70 TNKS (0.57) TNKSTNKS2PARP2NPBWR1NPC1
SCHEMBL984150 0.70 NPC1 (0.63) TNKSTNKS2NPBWR1NPC1MAPT
SCHEMBL4840913 0.70 ACHE (0.55) PARP1ADORA2B
SCHEMBL28425038 0.69 TNKS (0.72) TNKSTNKS2PARP2NPBWR1NPC1
SCHEMBL22191830 0.69 PARP1 (0.54) TNKSTNKS2PARP2NPBWR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US disclosed
EP-1539759-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES AstraZeneca AB (SE) 2005-06-15 EP disclosed
WO-2004016611-A1 USE OF AND SOME NOVEL IMIDAZOPYRIDINES ASTRAZENECA AB (SE) 2004-02-26 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 TNKS 344/4885TNKS2 468/4885PARP2 2525/4885

“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.