SCHEMBL4043225

SCHEMBL4043225

O=C1N(c2ccccc2)CC(c2ccccn2)=NN1c1ccccc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.34
PDCD1 Q15116 2/20 0.34
CTSG P08311 4/20 0.33
CMA1 P23946 4/20 0.33
GFER P55789 1/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
PRKCZ Q05513 1/20 0.32
MAPT P10636 2/20 0.32
PPP1CA P62136 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
KDM4E B2RXH2 1/20 0.31
BRD4 O60885 1/20 0.31
HPGDS O60760 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
SCHEMBL4041484 0.93 EGLN1 (0.37) CD274PDCD1RAB9AMAPTKDM4E
SCHEMBL4042657 0.91 NPC1 (0.41) CTSGCMA1RAB9AKMT2ANPC1
SCHEMBL4039070 0.90 CYP11B2 (0.39) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL4045032 0.89 SMN1; SMN2 (0.36) CD274GFERPRKCZMAPTKDM4E
SCHEMBL4042421 0.88 CD274 (0.40) CD274PDCD1RAB9AMEN1KMT2A
SCHEMBL4041718 0.87 DRD3 (0.33) CDK5CDK5R1
SCHEMBL4042264 0.86 MAPT (0.35) CD274PDCD1RAB9AMEN1KMT2A
SCHEMBL4039153 0.86 FGFR1 (0.35) PRKCZ
SCHEMBL4041087 0.86 GAA (0.34) CD274PDCD1MEN1KMT2APRKCZ
SCHEMBL4043691 0.86 HTR2C (0.32) CD274PDCD1RAB9APRKCZKDM4E

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 CD274 2129/4885PDCD1 3074/4885CTSG 4043/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CD274 3053/4885PDCD1 3741/4885CTSG 4146/4885

“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.