SCHEMBL6014966

SCHEMBL6014966

N#Cc1ccccc1-n1nc(-c2nccs2)cc(-c2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.40
KDM4E B2RXH2 3/20 0.38
CRHR1 P34998 4/20 0.37
HPGD P15428 4/20 0.37
GRIA1 P42261 1/20 0.37
GRIA3 P42263 1/20 0.37
PDE4D Q08499 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SCN9A Q15858 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SCN5A Q14524 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6014901 0.83 GRIA1 (0.42) KDM4EHPGDGRIA1GRIA3PDE4D
SCHEMBL6014899 0.82 GRIA1 (0.49) KDM4EHPGDGRIA1GRIA3PDE4D
SCHEMBL4722383 0.79 GRIA1 (0.40) KDM4EHPGDGRIA1GRIA3PDE4D
SCHEMBL4048906 0.77 KDM4E (0.45) KDM4EHPGDALDH1A1MAPTPOLB
SCHEMBL30603820 0.74 PDPK1 (0.50) PDPK1KDM4EHPGDPTGDR2ALDH1A1
SCHEMBL6014876 0.73 CYP2A6 (0.46) KDM4EHPGDGRIA1GRIA3PDE4D
SCHEMBL6014925 0.71 GRIA1 (0.56) KDM4EGRIA1GRIA3PDE4DMAPT
SCHEMBL6014860 0.70 ALDH1A1 (0.40) KDM4EHPGDGRIA1GRIA3PDE4D
SCHEMBL6014911 0.70 GRIA1 (0.47) KDM4EGRIA1GRIA3PDE4DMAPT
SCHEMBL6014930 0.70 GRIA1 (0.39) GRIA1GRIA3PDE4DMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100473647-C Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2009-04-01 CN claimed
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 US 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
CN-101486683-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI R&D MAN CO LTD (JP) 2009-07-22 CN disclosed
CN-100473647-C Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2009-04-01 CN 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 PDPK1 2420/4885KDM4E 1727/4885CRHR1 299/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 PDPK1 3095/4885KDM4E 2321/4885CRHR1 273/4885

“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.