SCHEMBL6014837

SCHEMBL6014837

N#Cc1ncccc1-n1nc(-c2ccccn2)cc(-c2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.43
GRIA3 P42263 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
GRM5 P41594 6/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 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
SQOR Q9Y6N5 1/20 0.35
BCAT1 P54687 2/20 0.35
PTGS2 P35354 1/20 0.35
TGFBR1 P36897 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL27580469 0.90 PDE4D (0.39) GRIA1GRIA3PDE4DALDH1A1HSD17B10
SCHEMBL6014860 0.89 ALDH1A1 (0.40) GRIA1GRIA3PDE4DALDH1A1HSD17B10
SCHEMBL6014899 0.87 GRIA1 (0.49) GRIA1GRIA3PDE4DALDH1A1HSD17B10
SCHEMBL6014843 0.81 DCTPP1 (0.40) ALDH1A1HSD17B10HTTGRM5MAPT
SCHEMBL6014876 0.80 CYP2A6 (0.46) GRIA1GRIA3PDE4DALDH1A1GRM5
SCHEMBL6014925 0.79 GRIA1 (0.56) GRIA1GRIA3PDE4DGRM5MAPT
SCHEMBL6014853 0.78 GRIA1 (0.43) GRIA1GRIA3PDE4DALDH1A1HSD17B10
SCHEMBL6014901 0.76 GRIA1 (0.42) GRIA1GRIA3PDE4DALDH1A1HSD17B10
SCHEMBL6014918 0.75 GRIA1 (0.47) GRIA1GRIA3PDE4DGRM5MAPT
SCHEMBL4722383 0.75 GRIA1 (0.40) GRIA1GRIA3PDE4DALDH1A1HSD17B10

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
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 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.