SCHEMBL6014856

SCHEMBL6014856

O=c1c(-c2ccccc2O)cc(-c2ccccn2)nn1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.46
GRIA1 P42261 1/20 0.42
GRIA3 P42263 1/20 0.42
PDE4D Q08499 1/20 0.42
CA2 P00918 2/20 0.42
KDM4A O75164 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
NTRK1 P04629 2/20 0.41
MMP2 P08253 1/20 0.41
NT5E P21589 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL6014879 0.84 FABP3 (0.42) GRM5GRIA1GRIA3PDE4DNTRK1
SCHEMBL6014861 0.83 DCTPP1 (0.38) GRM5CA2CA12CA1CA9
SCHEMBL6014961 0.81 GRIA1 (0.65) GRM5GRIA1GRIA3PDE4DTSHR
SCHEMBL6014911 0.80 GRIA1 (0.47) GRM5GRIA1GRIA3PDE4DKDM4E
SCHEMBL6014924 0.80 CYP2A6 (0.54) GRM5CA2CA12CA1CA9
SCHEMBL6014958 0.78 PTGS2 (0.42) GRM5GRIA1GRIA3PDE4DLMNA
SCHEMBL1884216 0.77 GRIA1 (0.69) GRM5GRIA1GRIA3PDE4DCA2
SCHEMBL6014865 0.75 CYP2A6 (0.51) GRM5CA2CA12CA1CA9
SCHEMBL20591288 0.74 KDM4E (0.54) GRM5LMNAALDH1A1HTTKDM4E
SCHEMBL15485572 0.74 KDM4E (0.54) GRM5LMNAALDH1A1HTTKDM4E

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 GRM5 19/4885GRIA1 30/4885GRIA3 28/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 GRM5 38/4885GRIA1 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.