SCHEMBL4480783

SCHEMBL4480783

Cc1c(Br)c(=O)n(C2CCCCC2)c(=O)n1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 6/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
OGFOD1 Q8N543 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
HIF1AN Q9NWT6 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL8100247 0.86 GSK3A (0.44) MAPTMEN1KMT2ANPSR1XBP1
SCHEMBL11726156 0.86 NPSR1 (0.35) MAPTMEN1KMT2ANPSR1XBP1
SCHEMBL11732411 0.85 MAPT (0.40) MAPTMEN1KMT2ANPSR1XBP1
SCHEMBL11812122 0.81 GSK3A (0.36) MAPTMEN1KMT2ANPSR1XBP1
SCHEMBL11812114 0.78 GSK3A (0.34) MAPTMEN1KMT2ANPSR1XBP1
SCHEMBL11847806 0.73 GSK3A (0.54) MAPTMEN1KMT2ANPSR1XBP1
SCHEMBL11320869 0.72 TSHR (0.50) MAPTMEN1KMT2ANPSR1MAPK1
SCHEMBL11734236 0.72 ALDH1A1 (0.40) MAPTMEN1KMT2ANPSR1MAPK1
SCHEMBL7023262 0.71 MAPT (0.46) MAPTMEN1KMT2ANPSR1XBP1
SCHEMBL10962187 0.71 GSK3A (0.46) MAPTMEN1KMT2ANPSR1XBP1

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
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 MAPT 1146/4885MEN1 1024/4885KMT2A 1914/4885

“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.