SCHEMBL4044781

SCHEMBL4044781

N#Cc1ccccc1N1N=C(c2ccccn2)CN(c2cccnc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 2/20 0.39
GRIA1 P42261 1/20 0.37
GRIA3 P42263 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP3A4 P08684 1/20 0.34
GRM5 P41594 3/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.32
GSK3B P49841 1/20 0.32
BCL6 P41182 1/20 0.32

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
SCHEMBL4040155 0.91 GRIA1 (0.42) GRIA1GRIA3PDE4DMEN1KMT2A
SCHEMBL4041349 0.85 GRIA1 (0.38) GRIA1GRIA3PDE4DMAPTKDM4E
SCHEMBL4039070 0.85 CYP11B2 (0.39) CYP11B2CYP11B1MAPTKDM4EMEN1
SCHEMBL4041256 0.84 GRIA1 (0.42) GRIA1GRIA3PDE4DMAPTKDM4E
SCHEMBL4042889 0.84 CD274 (0.38) GRIA1GRIA3PDE4DMEN1KMT2A
SCHEMBL4045595 0.84 MAPT (0.47) CYP11B2CYP11B1MAPTKDM4EMEN1
SCHEMBL4044723 0.83 GRIA1 (0.34) GRIA1GRIA3PDE4DMAPTGRM5
SCHEMBL3959509 0.82 GRIA1 (0.34) GRIA1GRIA3PDE4DMAPTKDM4E
SCHEMBL4043620 0.81 MAPT (0.41) GRIA1GRIA3PDE4DMAPTKDM4E
SCHEMBL4038841 0.81 DRD2 (0.42) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP claimed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP claimed
CN-101486683-B Pyridazinone and triazinone compounds and their use as pharmaceutical formulations Sanitary Material R&D Management Co.,Ltd. (JP) 2011-12-21 CN disclosed
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP disclosed
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US disclosed
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-12-04 US disclosed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 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 (2 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-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof GRIK1, GRIK3, GRIK2 CYP11B2 756/4885CYP11B1 791/4885GRIA1 30/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CYP11B2 736/4885CYP11B1 816/4885GRIA1 50/4885

“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.