SCHEMBL4041484

SCHEMBL4041484

O=C1N(c2ccc(-c3ccccc3)cc2)CC(c2ccccn2)=NN1c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.37
CD274 Q9NZQ7 4/20 0.37
PDCD1 Q15116 3/20 0.37
APP P05067 1/20 0.36
TACR3 P29371 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
KLF5 Q13887 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BACE1 P56817 1/20 0.33
PTGS2 P35354 1/20 0.32
CA12 O43570 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
SCHEMBL4043225 0.93 CD274 (0.34) CD274PDCD1KDM4EMAPTRAB9A
SCHEMBL4042264 0.85 MAPT (0.35) CD274PDCD1ALDH1A1LMNATP53
SCHEMBL4043691 0.84 HTR2C (0.32) CD274PDCD1KDM4EPKMRAB9A
SCHEMBL4042421 0.84 CD274 (0.40) CD274PDCD1KDM4EALDH1A1TP53
SCHEMBL4039070 0.84 CYP11B2 (0.39) EGLN1KDM4EALDH1A1MAPTRAB9A
SCHEMBL4041718 0.83 DRD3 (0.33) EGLN1
SCHEMBL4045032 0.83 SMN1; SMN2 (0.36) CD274KDM4EALDH1A1LMNAMAPT
SCHEMBL4038644 0.82 CA12 (0.40) CD274PDCD1APPKDM4EALDH1A1
SCHEMBL4041087 0.82 GAA (0.34) CD274PDCD1TACR3KDM4EALDH1A1
SCHEMBL4039153 0.81 FGFR1 (0.35) ALDH1A1

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 6 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
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 EGLN1 1561/4885CD274 2129/4885PDCD1 3074/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 EGLN1 2163/4885CD274 3053/4885PDCD1 3741/4885

“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.