SCHEMBL6014860

SCHEMBL6014860

N#Cc1ncccc1-n1nc(-c2ncccn2)cc(-c2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
GRIA1 P42261 1/20 0.37
GRIA3 P42263 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ELANE P08246 1/20 0.36
BCAT1 P54687 2/20 0.36
MGLL Q99685 1/20 0.35
CLK4 Q9HAZ1 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
GRM5 P41594 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
SCHEMBL6014837 0.89 GRIA1 (0.43) ALDH1A1HSD17B10HTTGRIA1GRIA3
SCHEMBL28751591 0.89 BCAT1 (0.34) ALDH1A1HSD17B10HTTGRIA1GRIA3
SCHEMBL6014901 0.87 GRIA1 (0.42) ALDH1A1HSD17B10HTTGRIA1GRIA3
SCHEMBL6014862 0.77 KDM4E (0.38) ALDH1A1HSD17B10GRIA1GRIA3PDE4D
SCHEMBL6014899 0.76 GRIA1 (0.49) ALDH1A1HSD17B10GRIA1GRIA3PDE4D
SCHEMBL6014877 0.74 USP8 (0.43) HTTKDM4EMAPTGRM5
SCHEMBL4722383 0.71 GRIA1 (0.40) ALDH1A1HSD17B10GRIA1GRIA3PDE4D
SCHEMBL1008743 0.71 ALOX15 (0.44) ALDH1A1HSD17B10HTTMAPTALOX15
SCHEMBL6014966 0.70 PDPK1 (0.40) ALDH1A1HSD17B10GRIA1GRIA3PDE4D
SCHEMBL6014876 0.70 CYP2A6 (0.46) ALDH1A1GRIA1GRIA3PDE4DKDM4E

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
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
CN-1458924-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2003-11-26 CN 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 ALDH1A1 1550/4885HSD17B10 1703/4885HTT 3245/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 ALDH1A1 2206/4885HSD17B10 1367/4885HTT 2373/4885

“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.