SCHEMBL4045158

SCHEMBL4045158

N#Cc1ccccc1N1N=C(c2ccccc2O)CN(c2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSP90AA1 P07900 1/20 0.37
ATM Q13315 1/20 0.37
MAOB P27338 2/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIM1 P11309 2/20 0.35
BIRC5 O15392 1/20 0.35
CTSG P08311 2/20 0.34
CMA1 P23946 2/20 0.34
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

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
SCHEMBL4047477 0.85 UGCG (0.46) MEN1KMT2AATMALDH1A1HSD17B10
SCHEMBL4041245 0.83 MEN1 (0.39) MEN1KMT2AHSP90AA1ATMMAOB
SCHEMBL4040155 0.80 GRIA1 (0.42) MEN1KMT2ACTSGCMA1APAF1
SCHEMBL4039858 0.78 UGCG (0.46) ALDH1A1HSD17B10MAPT
SCHEMBL3959509 0.76 GRIA1 (0.34) MEN1KMT2AALDH1A1MAPT
SCHEMBL27844389 0.75 MEN1 (0.38) MEN1KMT2AHSP90AA1ATMUSP2
SCHEMBL27735036 0.73 KMT2A (0.42) MEN1KMT2AHSP90AA1ATMUSP2
SCHEMBL4040438 0.73 MAOB (0.39) MEN1KMT2AHSP90AA1ATMMAOB
SCHEMBL4044781 0.72 CYP11B2 (0.39) MEN1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL4041256 0.71 GRIA1 (0.42) MEN1KMT2AALDH1A1APAF1TDP2

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 721/4885HSP90AA1 4672/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 MEN1 2326/4885KMT2A 990/4885HSP90AA1 4850/4885

“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.