SCHEMBL6904713

SCHEMBL6904713

Nc1nc(NCc2cccc([N+](=O)[O-])c2)nc(Cl)c1N

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 1/20 0.51
MAPT P10636 5/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
EGFR P00533 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
TSHR P16473 1/20 0.47
PDE5A O76074 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
APP P05067 1/20 0.44
CYP1A2 P05177 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4045936 0.83 EGFR (0.53) KCNN3MAPTKMT2AMEN1EGFR
SCHEMBL6024935 0.77 APP (0.59) MAPTAPP
SCHEMBL13219674 0.74 TSHR (0.66) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL4014057 0.72 EGFR (0.57) KCNN3MAPTKMT2AMEN1EGFR
SCHEMBL13623067 0.71 ALDH1A1 (0.61) MAPTKMT2AMEN1EGFRALDH1A1
SCHEMBL7500783 0.71 TSHR (0.54) KCNN3MAPTKMT2AMEN1ALDH1A1
SCHEMBL1829879 0.71 TSHR (0.61) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL17201936 0.71 EGFR (0.53) KCNN3MAPTKMT2AMEN1EGFR
SCHEMBL6153829 0.70 MAPT (0.63) KCNN3MAPTKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL1075280 0.70 ALDH1A1 (0.60) MAPTKMT2AMEN1EGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 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-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 KCNN3 796/4885MAPT 769/4885KMT2A 2100/4885

“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.