SCHEMBL6014958

SCHEMBL6014958

O=c1c(-c2ccccc2OS(=O)(=O)C(F)(F)F)cc(-c2ccccn2)nn1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
PTGS1 P23219 1/20 0.39
GRM5 P41594 7/20 0.38
GRIA1 P42261 1/20 0.36
GRIA3 P42263 1/20 0.36
PDE4D Q08499 1/20 0.36
ESR2 Q92731 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FABP3 P05413 2/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 1/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 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
SCHEMBL6014856 0.78 GRM5 (0.46) PTGS2GRM5GRIA1GRIA3PDE4D
SCHEMBL6014879 0.76 FABP3 (0.42) PTGS2GRM5GRIA1GRIA3PDE4D
SCHEMBL6015117 0.73 PTGS2 (0.41) PTGS2PTGS1GRIA1GRIA3PDE4D
SCHEMBL6014961 0.73 GRIA1 (0.65) GRM5GRIA1GRIA3PDE4DMAPT
SCHEMBL7023211 0.71 DRD2 (0.42) MAPTKMT2A
SCHEMBL19781138 0.70 PDK2 (0.42) PTGS2PTGS1PDE4D
SCHEMBL16926997 0.70 DRD2 (0.41) MEN1MAPTMAPK1KMT2ALMNA
SCHEMBL6014924 0.69 CYP2A6 (0.54) GRM5MEN1MAPTKMT2A
SCHEMBL2141710 0.69 CCR1 (0.47) PTGS2PDE4DMAPK1HSD17B10LMNA
SCHEMBL23956288 0.68 PDK2 (0.44) PTGS2PTGS1GRM5PDE4D

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 5 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
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 PTGS2 2407/4885PTGS1 2126/4885GRM5 19/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 PTGS2 2991/4885PTGS1 2746/4885GRM5 38/4885

“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.