SCHEMBL4043620

SCHEMBL4043620

N#Cc1ccccc1N1N=C(c2ccccn2)CN(c2cccc([N+](=O)[O-])c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
PRKCA P17252 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
FGFR1 P11362 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA3 P42263 1/20 0.36
PDE4D Q08499 1/20 0.36
HPN P05981 1/20 0.35
PTPN1 P18031 1/20 0.35
PIK3CD O00329 1/20 0.35
RAB9A P51151 3/20 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
SCHEMBL4044214 0.86 MAPT (0.43) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL4041349 0.86 GRIA1 (0.38) MAPTALDH1A1HTTKDM4EGRIA1
SCHEMBL4040155 0.86 GRIA1 (0.42) MEN1KMT2AGRIA1GRIA3PDE4D
SCHEMBL4044781 0.81 CYP11B2 (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27598023 0.81 MAPT (0.42) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL4042889 0.80 CD274 (0.38) ALDH1A1MEN1KMT2AGRIA1GRIA3
SCHEMBL4041256 0.80 GRIA1 (0.42) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL4044723 0.79 GRIA1 (0.34) MAPTALDH1A1SMN1; SMN2GAAGRIA1
SCHEMBL27598121 0.78 PIK3CD (0.37) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL3959509 0.78 GRIA1 (0.34) MAPTALDH1A1MEN1KMT2AHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP claimed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP claimed
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP 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 MAPT 4269/4885ALDH1A1 1550/4885MEN1 3727/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 MAPT 3873/4885ALDH1A1 2206/4885MEN1 2326/4885

“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.