SCHEMBL6014845

SCHEMBL6014845

O=c1c(-c2cccnc2)cc(-c2ccccn2)nn1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.45
F12 P00748 1/20 0.39
VHL P40337 1/20 0.39
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 3/20 0.38
LMNA P02545 2/20 0.38
GRM5 P41594 2/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL6014840 0.83 CYP2A6 (0.49) CYP2A6F12VHLNPC1GRM5
SCHEMBL6014876 0.80 CYP2A6 (0.46) CYP2A6VHLNPC1GRM5MAPT
SCHEMBL6014924 0.80 CYP2A6 (0.54) CYP2A6VHLL3MBTL1CYP19A1GRM5
SCHEMBL6014865 0.78 CYP2A6 (0.51) CYP2A6VHLCYP19A1GRM5CYP1A2
SCHEMBL6014906 0.75 CYP2A6 (0.50) CYP2A6VHLGRM5MAPTGAA
SCHEMBL6014895 0.75 CYP2A6 (0.48) CYP2A6VHLCYP11B1CYP11B2NPC1
SCHEMBL6014896 0.75 CA12 (0.55) CYP2A6
SCHEMBL6014884 0.74 CYP2A6 (0.47) CYP2A6VHLNPC1L3MBTL1GRM5
SCHEMBL6014864 0.74 CYP2A6 (0.47) CYP2A6VHLCYP11B1CYP11B2CYP19A1
SCHEMBL6014934 0.74 CYP2A6 (0.49) CYP2A6VHLGRM5MAPTCYP1A2

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 7 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
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 (1 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-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CYP2A6 413/4885F12 307/4885VHL 4763/4885

“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.