SCHEMBL4040438

SCHEMBL4040438

O=C1N(c2cc(O)ccc2O)CC(c2ccccc2O)=NN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSP90AA1 P07900 2/20 0.38
ATM Q13315 1/20 0.38
PRKCZ Q05513 4/20 0.35
ESR1 P03372 1/20 0.35
CA2 P00918 1/20 0.34

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 0.85 MAOB (0.35) MAOBMEN1KMT2AHSP90AA1ATM
SCHEMBL4041245 0.75 MEN1 (0.39) MAOBMEN1KMT2AHSP90AA1ATM
SCHEMBL4045158 0.73 MEN1 (0.37) MAOBMEN1KMT2AHSP90AA1ATM
SCHEMBL6015158 0.72 MEN1 (0.52) MAOBMEN1KMT2AHSP90AA1ATM
SCHEMBL10382659 0.70 MAOB (0.64) MAOBMEN1KMT2AHSP90AA1ATM
SCHEMBL4042219 0.66 UGCG (0.46) MEN1KMT2AATM
SCHEMBL4044374 0.65 CA12 (0.42) MEN1KMT2AHSP90AA1CA2
SCHEMBL4039759 0.64 MEN1 (0.41) MEN1KMT2A
SCHEMBL9536771 0.63 MAOB (0.61) MAOBMEN1KMT2APRKCZ
SCHEMBL9536658 0.62 MAOB (0.64) MAOBMEN1KMT2A

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 MAOB 1856/4885MEN1 3727/4885KMT2A 721/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 MAOB 1378/4885MEN1 2326/4885KMT2A 990/4885

“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.