SCHEMBL4039759

SCHEMBL4039759

O=C1N(c2ccccc2)CC(c2ncccn2)=NN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
CD274 Q9NZQ7 2/20 0.38
PDCD1 Q15116 1/20 0.38
CTSG P08311 9/20 0.38
CMA1 P23946 8/20 0.38
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4044725 0.85 ALB (0.41) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4045595 0.76 MAPT (0.47) MEN1KMT2AKDM4EMAPTCD274
SCHEMBL4042778 0.74 GFER (0.35) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL4043225 0.72 CD274 (0.34) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4041256 0.70 GRIA1 (0.42) MEN1KMT2AKDM4EMAPTCD274
SCHEMBL4040155 0.70 GRIA1 (0.42) MEN1KMT2ACD274PDCD1CTSG
SCHEMBL4044374 0.69 CA12 (0.42) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL4038644 0.69 CA12 (0.40) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL27581433 0.66 MAPT (0.42) KMT2ANPC1RAB9AKDM4EMAPT
SCHEMBL9377831 0.65 MEN1 (0.57) MEN1KMT2AKDM4EMAPTCD274

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 7 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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 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 MEN1 3727/4885KMT2A 721/4885NPC1 2494/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 MEN1 2326/4885KMT2A 990/4885NPC1 2506/4885

“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.