SCHEMBL4042889

SCHEMBL4042889

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 9/20 0.38
PDCD1 Q15116 7/20 0.38
GRIA1 P42261 1/20 0.38
GRIA3 P42263 1/20 0.38
PDE4D Q08499 1/20 0.38
PLAUR Q03405 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CRBN Q96SW2 1/20 0.34
GRM5 P41594 2/20 0.33
FFAR1 O14842 1/20 0.33
MTOR P42345 1/20 0.33
RPTOR Q8N122 1/20 0.33
MLST8 Q9BVC4 1/20 0.33
GHSR Q92847 1/20 0.33

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 0.89 GRIA1 (0.42) CD274PDCD1GRIA1GRIA3PDE4D
SCHEMBL3959509 0.87 GRIA1 (0.34) GRIA1GRIA3PDE4DMEN1ALDH1A1
SCHEMBL4038841 0.85 DRD2 (0.42) CD274PDCD1FFAR1
SCHEMBL4042014 0.85 GRIA1 (0.34) GRIA1GRIA3PDE4DGRM5FFAR1
SCHEMBL4041256 0.84 GRIA1 (0.42) CD274PDCD1GRIA1GRIA3PDE4D
SCHEMBL4044781 0.84 CYP11B2 (0.39) GRIA1GRIA3PDE4DMEN1ALDH1A1
SCHEMBL4050316 0.83 PDCD1 (0.55) CD274PDCD1NPC1ALDH1A1RAB9A
SCHEMBL4041349 0.83 GRIA1 (0.38) GRIA1GRIA3PDE4DALDH1A1GRM5
SCHEMBL4044723 0.83 GRIA1 (0.34) GRIA1GRIA3PDE4DALDH1A1GRM5
SCHEMBL4042421 0.83 CD274 (0.40) CD274PDCD1MEN1NPC1ALDH1A1

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 3074/4885GRIA1 30/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CD274 3053/4885PDCD1 3741/4885GRIA1 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.