SCHEMBL4041245

SCHEMBL4041245

O=C1N(c2ccccc2)CC(c2ccccc2O)=NN1c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ATM Q13315 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAOB P27338 4/20 0.38
CA2 P00918 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAOA P21397 1/20 0.33
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33
KIF11 P52732 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 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
SCHEMBL4044617 0.84 MAOB (0.35) MEN1KMT2AATMHSP90AA1MAOB
SCHEMBL4042771 0.84 UGCG (0.46) MEN1KMT2AATMCTSGCMA1
SCHEMBL4038644 0.84 CA12 (0.40) MEN1KMT2AHSP90AA1CA2NPC1
SCHEMBL4045158 0.83 MEN1 (0.37) MEN1KMT2AATMHSP90AA1MAOB
SCHEMBL4043225 0.79 CD274 (0.34) MEN1KMT2ANPC1RAB9ACTSG
SCHEMBL4040905 0.77 HTR7 (0.44) RAB9A
SCHEMBL4042219 0.76 UGCG (0.46) MEN1KMT2AATM
SCHEMBL4043960 0.76 CA12 (0.39) MEN1KMT2AHSP90AA1CA2NPC1
SCHEMBL4040438 0.75 MAOB (0.39) MEN1KMT2AATMHSP90AA1MAOB
SCHEMBL4041087 0.74 GAA (0.34) MEN1KMT2A

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 MEN1 3727/4885KMT2A 721/4885ATM 3316/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 MEN1 2326/4885KMT2A 990/4885ATM 3503/4885

“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.