SCHEMBL6014896

SCHEMBL6014896

CS(=O)(=O)c1ccc(-n2nc(-c3ccccn3)cc(-c3cccnc3)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
PTGS2 P35354 12/20 0.52
PTGS1 P23219 4/20 0.45
ALOX5 P09917 2/20 0.45
CYP2A6 P11509 1/20 0.45
USP8 P40818 1/20 0.42

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
SCHEMBL6014865 0.87 CYP2A6 (0.51) CA12CA1CA2CA9CYP2A6
SCHEMBL6014924 0.87 CYP2A6 (0.54) CA12CA1CA2CA9CYP2A6
SCHEMBL6014895 0.82 CYP2A6 (0.48) CA12CA1CA2CA9CYP2A6
SCHEMBL6014884 0.81 CYP2A6 (0.47) CA12CA1CA2CA9CYP2A6
SCHEMBL6014934 0.81 CYP2A6 (0.49) CA12CA1CA2CA9CYP2A6
SCHEMBL6014906 0.80 CYP2A6 (0.50) CA12CA1CA2CA9CYP2A6
SCHEMBL6014864 0.79 CYP2A6 (0.47) CA12CA1CA2CA9CYP2A6
SCHEMBL6014913 0.78 FYN (0.48) CA12CA1CA2CA9CYP2A6
SCHEMBL6014917 0.77 CYP2A6 (0.45) CA12CA1CA2CA9CYP2A6
SCHEMBL6014840 0.76 CYP2A6 (0.49) CA12CA1CA2CA9CYP2A6

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 CA12 1556/4885CA1 378/4885CA2 424/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CA12 2084/4885CA1 599/4885CA2 666/4885

“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.