SCHEMBL4042014

SCHEMBL4042014

N#Cc1ccccc1N1CC(c2ccccn2)=NN(c2ccccc2Br)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.34
GRIA3 P42263 1/20 0.34
PDE4D Q08499 1/20 0.34
GRM4 Q14833 1/20 0.33
GHSR Q92847 1/20 0.33
GRM5 P41594 2/20 0.32
GRM2 Q14416 1/20 0.32
FFAR1 O14842 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP2D6 P10635 1/20 0.32
GSK3B P49841 1/20 0.32
DRD4 P21917 1/20 0.32
BCL6 P41182 1/20 0.31
NAMPT P43490 1/20 0.31
PTPN1 P18031 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL4041256 0.87 GRIA1 (0.42) GRIA1GRIA3PDE4DGRM5OPRM1
SCHEMBL3959509 0.85 GRIA1 (0.34) GRIA1GRIA3PDE4DGHSRGRM5
SCHEMBL4040155 0.85 GRIA1 (0.42) GRIA1GRIA3PDE4DGHSRGRM5
SCHEMBL4042889 0.85 CD274 (0.38) GRIA1GRIA3PDE4DGHSRGRM5
SCHEMBL4041087 0.84 GAA (0.34) CYP2D6TDP1KDM4E
SCHEMBL4038841 0.83 DRD2 (0.42) FFAR1TDP1L3MBTL1KDM4EMGLL
SCHEMBL4042421 0.83 CD274 (0.40) GSK3BKDM4E
SCHEMBL4043225 0.83 CD274 (0.34) TDP1L3MBTL1KDM4E
SCHEMBL4040485 0.82 PDCD1 (0.42) DRD4TDP1L3MBTL1KDM4E
SCHEMBL4044781 0.81 CYP11B2 (0.39) GRIA1GRIA3PDE4DGRM5CYP2D6

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
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
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 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
EP-1325008-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-10-05 EP 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 GRIA1 30/4885GRIA3 28/4885PDE4D 4511/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 GRIA1 50/4885GRIA3 35/4885PDE4D 4311/4885

“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.