SCHEMBL4473737

SCHEMBL4473737

O=c1c(Br)cn(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.47
KMT2A Q03164 6/20 0.46
SRC P12931 2/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
DBH P09172 1/20 0.44
MEN1 O00255 4/20 0.43
PDE5A O76074 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29416563 0.83 KMT2A (0.50) P2RX4KMT2ASRCPRKACAPRKACG
SCHEMBL5812520 0.79 L3MBTL1 (0.52) P2RX4KMT2AMEN1L3MBTL1
SCHEMBL4486235 0.75 KMT2A (0.60) KMT2ADBHMEN1SMN1; SMN2ALDH1A1
SCHEMBL7840053 0.74 L3MBTL1 (0.54) ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL5481632 0.71 P2RX4 (0.52) P2RX4KMT2ADBHMEN1SMN1; SMN2
SCHEMBL7840052 0.71 ALDH1A1 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4875253 0.70 KMT2A (0.71) P2RX4KMT2ASRCPRKACAPRKACG
SCHEMBL5808696 0.69 KMT2A (0.52) P2RX4KMT2ASRCPRKACAPRKACG
SCHEMBL9453625 0.69 KMT2A (0.54) P2RX4KMT2ADBHMEN1SMN1; SMN2
SCHEMBL15331269 0.68 L3MBTL1 (0.41) KMT2AMEN1PDE4APDE4BPDE4C

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-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
EP-1385831-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY (CA) 2003-08-14 US disclosed
WO-2002083651-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-24 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-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents NUDT1, DPYD, TYMP P2RX4 83/4885KMT2A 1914/4885SRC 4739/4885

“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.