SCHEMBL2574486

SCHEMBL2574486

N#Cc1cc(NCc2ccccc2)c([N+](=O)[O-])c(NCc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
LMNA P02545 4/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 3/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EGFR P00533 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL13407309 0.82 MAPT (0.59) MAPTLMNAMAPK1HPGDHTT
SCHEMBL12164325 0.81 MAPT (0.57) MAPTLMNAMAPK1HPGDHTT
SCHEMBL2571273 0.79 MAPT (0.58) MAPTLMNAMAPK1HPGDHTT
SCHEMBL2572361 0.79 MAPT (0.55) MAPTLMNAMAPK1HPGDHTT
SCHEMBL2564785 0.78 MAPT (0.54) MAPTLMNAMAPK1HPGDHTT
SCHEMBL13407314 0.78 MAPT (0.60) MAPTLMNAMAPK1HPGDHTT
SCHEMBL2573499 0.77 MAPT (0.53) MAPTLMNAMAPK1HPGDHTT
SCHEMBL2567876 0.77 MAPT (0.53) MAPTLMNAMAPK1HPGDHTT
SCHEMBL2572337 0.77 MAPT (0.53) MAPTLMNAMAPK1HPGDHTT
SCHEMBL2573075 0.76 MAPT (0.55) MAPTLMNAMAPK1HPGDHTT

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
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 EP disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 US disclosed
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 EP disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 WO disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 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-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 MAPT 4363/4885LMNA 4120/4885MAPK1 729/4885

“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.