SCHEMBL4041087

SCHEMBL4041087

O=C1N(c2ccccc2O)CC(c2ccccn2)=NN1c1ccccc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F2 P00734 1/20 0.32
F12 P00748 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
TACR3 P29371 1/20 0.31
PIM1 P11309 1/20 0.31
CD274 Q9NZQ7 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDCD1 Q15116 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
SCHEMBL4042421 0.86 CD274 (0.40) KDM4EALDH1A1HPGDHSD17B10ABL1
SCHEMBL4043225 0.86 CD274 (0.34) KDM4EHIF1ACD274MEN1KMT2A
SCHEMBL3959509 0.84 GRIA1 (0.34) GAAHTTKDM4EALDH1A1CYP2D6
SCHEMBL4042014 0.84 GRIA1 (0.34) KDM4ECYP2D6TDP1
SCHEMBL4042657 0.82 NPC1 (0.41) CYP1A2CYP2D6F2F12TACR3
SCHEMBL4041484 0.82 EGLN1 (0.37) KDM4EALDH1A1HPGDHSD17B10TACR3
SCHEMBL4039070 0.81 CYP11B2 (0.39) GAAHTTKDM4EALDH1A1HSD17B10
SCHEMBL4041718 0.81 DRD3 (0.33)
SCHEMBL4045032 0.81 SMN1; SMN2 (0.36) KDM4EPOLBALDH1A1HPGDF2
SCHEMBL4043691 0.80 HTR2C (0.32) KDM4EPOLBCD274PDCD1PRKCZ

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-1646633-B1 BETA-STRAND MIMETICS CHOONGWAE PHARMA CORP (KR) 2009-04-15 EP claimed
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 GAA 3067/4885HTT 3245/4885KDM4E 1727/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 GAA 3855/4885HTT 2373/4885KDM4E 2321/4885

“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.