SCHEMBL4709728

SCHEMBL4709728

O=C1O/C(=N/c2ccccc2)c2nccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TRPA1 O75762 1/20 0.33
MAOA P21397 3/20 0.32
PTPRC P08575 2/20 0.32
MAOB P27338 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
PTPN13 Q12923 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDO1 P14902 1/20 0.31
LRRK2 Q5S007 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
ABL1 P00519 1/20 0.31
PLCG1 P19174 1/20 0.31
CES1 P23141 1/20 0.31
PAX8 Q06710 1/20 0.31
RIN1 Q13671 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL4709737 1.00 ALDH1A1 (0.36) ALDH1A1TRPA1MAOAPTPRCMAOB
SCHEMBL5958897 0.75 EIF2AK2 (0.34)
SCHEMBL4709208 0.75 EIF2AK2 (0.34)
SCHEMBL4712757 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL4712853 0.74 TNKS (0.38) MAOAMAOB
SCHEMBL4709217 0.73 PTGS2 (0.42)
SCHEMBL8264825 0.73 PTGS2 (0.42)
SCHEMBL4709213 0.73 PTGS2 (0.42)
SCHEMBL4709518 0.71 HRH3 (0.31)
SCHEMBL310818 0.71 ALDH1A1 (0.42) ALDH1A1PTPRCCTSLCTSSPTPN13

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-1824844-B1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2008-11-05 EP disclosed
EP-1824844-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF Bayer HealthCare AG (DE) 2007-08-29 EP disclosed
US-20060287315-A1 Pyrazinedicarboxamides and their use BAYER HEALTHCARE AG (DE) 2006-12-21 US disclosed
WO-2006061116-A1 PYRAZINE DICARBOXAMIDES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-15 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-20060287315-A1 Pyrazinedicarboxamides and their use PEPD, AADAC, PYCARD ALDH1A1 2019/4885TRPA1 2029/4885MAOA 1397/4885

“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.