SCHEMBL4045595

SCHEMBL4045595

O=C1N(c2cccnc2)CC(c2ccccn2)=NN1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP11B2 P19099 3/20 0.43
CYP2A6 P11509 1/20 0.42
CYP11B1 P15538 2/20 0.37
HTT P42858 1/20 0.37
GRM5 P41594 2/20 0.36
HDAC1 Q13547 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F2 P00734 1/20 0.36
F12 P00748 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL4039070 0.87 CYP11B2 (0.39) MAPTKDM4EMEN1KMT2ACYP11B2
SCHEMBL4044781 0.84 CYP11B2 (0.39) MAPTKDM4EMEN1KMT2ACYP11B2
SCHEMBL4042778 0.81 GFER (0.35) MAPTKDM4EMEN1KMT2AGRM5
SCHEMBL4043225 0.77 CD274 (0.34) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL4041256 0.77 GRIA1 (0.42) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL4039759 0.76 MEN1 (0.41) MAPTKDM4EMEN1KMT2ADRD3
SCHEMBL4040155 0.74 GRIA1 (0.42) MEN1KMT2AGRM5DRD2PDCD1
SCHEMBL4041518 0.73 KMT2A (0.41) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL27598030 0.72 CYP2A6 (0.41) MAPTKDM4EMEN1KMT2ACYP2A6
SCHEMBL9377831 0.72 MEN1 (0.57) MAPTKDM4EMEN1KMT2ADRD3

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 MAPT 4269/4885KDM4E 1727/4885MEN1 3727/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 MAPT 3873/4885KDM4E 2321/4885MEN1 2326/4885

“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.