SCHEMBL4700445

SCHEMBL4700445

O=[N+]([O-])c1cnn2c(-c3ccco3)ccnc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
RCE1 Q9Y256 1/20 0.48
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 5/20 0.41
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ERN1 O75460 1/20 0.36
MAP2K1 Q02750 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL4701436 0.80 CLK4 (0.56) KDM4EALDH1A1POLBL3MBTL1MAPT
SCHEMBL4699721 0.77 ALDH1A1 (0.47) KDM4EALDH1A1POLBL3MBTL1MEN1
SCHEMBL4702080 0.77 ALDH1A1 (0.52) KDM4EALDH1A1POLBL3MBTL1MEN1
SCHEMBL4699130 0.76 SMN1; SMN2 (0.50) KDM4EALDH1A1POLBL3MBTL1MAPT
SCHEMBL4703702 0.75 L3MBTL1 (0.55) KDM4EALDH1A1POLBL3MBTL1MEN1
SCHEMBL29071805 0.73 KDM4E (0.64) KDM4EALDH1A1RCE1POLBL3MBTL1
SCHEMBL7474235 0.73 L3MBTL1 (0.50) KDM4EALDH1A1POLBL3MBTL1MEN1
SCHEMBL7469746 0.73 POLB (0.47) ALDH1A1POLBL3MBTL1MAPT
SCHEMBL7791793 0.73 L3MBTL1 (0.54) KDM4EALDH1A1POLBL3MBTL1MEN1
SCHEMBL30931766 0.73 CLK4 (0.45) KDM4EALDH1A1POLBL3MBTL1MEN1

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
EP-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 EP claimed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 US claimed
EP-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 EP disclosed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 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-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines GABRB1, GABRA1, GABRB2 KDM4E 3514/4885ALDH1A1 113/4885RCE1 1382/4885

“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.