SCHEMBL3274431

SCHEMBL3274431

COc1ccc(Br)cc1C(=O)NCCc1nc(-c2ccncn2)cc(=O)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
DRD3 P35462 1/20 0.43
LMNA P02545 1/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
GSK3B P49841 8/20 0.42
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL3274983 0.91 ALDH1A1 (0.43) NPSR1SIGMAR1DRD3ALDH1A1TDP1
SCHEMBL3278108 0.90 GSK3B (0.44) CYP1A2CYP3A4CYP2D6GSK3BCNR2
SCHEMBL3274941 0.84 GSK3B (0.51) CYP1A2CYP2D6GSK3B
SCHEMBL3280340 0.84 GSK3B (0.42) LMNACYP1A2CYP2D6GSK3BCNR2
SCHEMBL3274308 0.84 HTR4 (0.48) DRD3LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL3274906 0.82 GSK3B (0.42) CYP1A2CYP3A4CYP2D6GSK3BCNR2
SCHEMBL3274046 0.82 NPC1 (0.49) CYP1A2CYP2D6GSK3BCNR2
SCHEMBL3273623 0.81 GSK3B (0.45) CYP1A2CYP3A4CYP2D6GSK3B
SCHEMBL3277958 0.81 MAPT (0.47) LMNAALDH1A1GSK3BHPGD
SCHEMBL3273383 0.80 GSK3B (0.41) NPSR1ALDH1A1TDP1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160388-B1 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI SA (FR) 2013-12-18 EP claimed
US-8598187-B2 Arylamide pyrimidone compounds SANOFI (FR) 2013-12-03 US claimed
US-20100087461-A1 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2010-04-08 US claimed
EP-2160388-A2 ARYLAMIDE PYRIMIDONE COMPOUNDS Sanofi-Aventis (FR) 2010-03-10 EP claimed
WO-2008155670-A2 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-24 WO claimed
EP-1992620-A1 Arylamide pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP claimed
EP-1992625-A1 Arylamide pyrimidone compounds Sanofi-Aventis (FR) 2008-11-19 EP claimed
EP-2160388-B1 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI SA (FR) 2013-12-18 EP disclosed
US-8598187-B2 Arylamide pyrimidone compounds SANOFI (FR) 2013-12-03 US disclosed
US-20100087461-A1 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2010-04-08 US disclosed
EP-2160388-A2 ARYLAMIDE PYRIMIDONE COMPOUNDS Sanofi-Aventis (FR) 2010-03-10 EP disclosed
WO-2008155670-A2 ARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-24 WO disclosed
EP-1992625-A1 Arylamide pyrimidone compounds Sanofi-Aventis (FR) 2008-11-19 EP 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-20100087461-A1 ARYLAMIDE PYRIMIDONE COMPOUNDS DHFR, HPRT1, XDH NPSR1 245/4885SIGMAR1 932/4885DRD3 2496/4885

“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.