SCHEMBL6014901

SCHEMBL6014901

N#Cc1ccccc1-n1nc(-c2ncccn2)cc(-c2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.42
GRIA3 P42263 1/20 0.42
PDE4D Q08499 1/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
GLA P06280 1/20 0.36
GRM5 P41594 1/20 0.36
GALR3 O60755 1/20 0.36
PLAUR Q03405 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6014899 0.89 GRIA1 (0.49) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL6014860 0.87 ALDH1A1 (0.40) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL4722383 0.84 GRIA1 (0.40) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL6014966 0.83 PDPK1 (0.40) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL4048906 0.81 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTDP1
SCHEMBL6014876 0.80 CYP2A6 (0.46) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL6014925 0.78 GRIA1 (0.56) GRIA1GRIA3PDE4DKDM4EMAPT
SCHEMBL6014862 0.78 KDM4E (0.38) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL28751591 0.77 BCAT1 (0.34) GRIA1GRIA3PDE4DKDM4EALDH1A1
SCHEMBL27755574 0.77 GAA (0.43) GRIA1GRIA3PDE4DKDM4EALDH1A1

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 8 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
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 GRIA1 30/4885GRIA3 28/4885PDE4D 4511/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 GRIA1 50/4885GRIA3 35/4885PDE4D 4311/4885

“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.