SCHEMBL4041256

SCHEMBL4041256

N#Cc1ccccc1N1CC(c2ccccn2)=NN(c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.42
GRIA3 P42263 1/20 0.42
PDE4D Q08499 1/20 0.42
GRM5 P41594 8/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
PTPN1 P18031 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
CASP6 P55212 1/20 0.33
PPP1CA P62136 1/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A2 P11168 1/20 0.33
SLC2A3 P11169 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL4040155 0.91 GRIA1 (0.42) GRIA1GRIA3PDE4DGRM5MEN1
SCHEMBL4042014 0.87 GRIA1 (0.34) GRIA1GRIA3PDE4DGRM5PTPN1
SCHEMBL3959509 0.85 GRIA1 (0.34) GRIA1GRIA3PDE4DGRM5MEN1
SCHEMBL4042889 0.84 CD274 (0.38) GRIA1GRIA3PDE4DGRM5MEN1
SCHEMBL4044781 0.84 CYP11B2 (0.39) GRIA1GRIA3PDE4DGRM5MEN1
SCHEMBL4041349 0.83 GRIA1 (0.38) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL4038841 0.83 DRD2 (0.42) DRD2HTR2APDCD1CD274KDM4E
SCHEMBL4044723 0.81 GRIA1 (0.34) GRIA1GRIA3PDE4DGRM5MAPT
SCHEMBL4043620 0.80 MAPT (0.41) GRIA1GRIA3PDE4DGRM5MEN1
SCHEMBL4039858 0.78 UGCG (0.46) PDE4DDRD2PDCD1CD274KDM4E

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 9 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
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 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
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US 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 (3 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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 GRIA1 2222/4885GRIA3 823/4885PDE4D 1347/4885
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.