SCHEMBL6014876

SCHEMBL6014876

N#Cc1ccccc1-n1nc(-c2ccccn2)cc(-c2cccnc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.46
GRIA1 P42261 1/20 0.43
GRIA3 P42263 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 5/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
IKBKB O14920 1/20 0.40
VHL P40337 1/20 0.40
DCTPP1 Q9H773 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GRM5 P41594 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MET P08581 1/20 0.37

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 0.90 GRIA1 (0.49) GRIA1GRIA3PDE4DKDM4EGAA
SCHEMBL4722383 0.85 GRIA1 (0.40) GRIA1GRIA3PDE4DKDM4EGAA
SCHEMBL6014925 0.84 GRIA1 (0.56) GRIA1GRIA3PDE4DKDM4EMAPT
SCHEMBL6014840 0.84 CYP2A6 (0.49) CYP2A6KDM4EVHLDCTPP1MAPT
SCHEMBL6014911 0.83 GRIA1 (0.47) GRIA1GRIA3PDE4DKDM4EIKBKB
SCHEMBL27755574 0.82 GAA (0.43) GRIA1GRIA3PDE4DKDM4EGAA
SCHEMBL6014930 0.81 GRIA1 (0.39) GRIA1GRIA3PDE4DMAPTGRM5
SCHEMBL6014924 0.81 CYP2A6 (0.54) CYP2A6KDM4EVHLMAPTALDH1A1
SCHEMBL6014918 0.81 GRIA1 (0.47) GRIA1GRIA3PDE4DKDM4EDCTPP1
SCHEMBL6014837 0.80 GRIA1 (0.43) CYP2A6GRIA1GRIA3PDE4DKDM4E

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 CYP2A6 596/4885GRIA1 30/4885GRIA3 28/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CYP2A6 413/4885GRIA1 50/4885GRIA3 35/4885

“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.