SCHEMBL4044725

SCHEMBL4044725

O=C1N(c2ccccc2)CC(c2ncccn2)=NN1c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 4/20 0.41
CTSG P08311 3/20 0.40
CMA1 P23946 3/20 0.40
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CD274 Q9NZQ7 4/20 0.34
ALDH1A1 P00352 2/20 0.34
GRM2 Q14416 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PDCD1 Q15116 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 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
SCHEMBL4039759 0.85 MEN1 (0.41) CTSGCMA1MEN1KMT2ANPC1
SCHEMBL4043225 0.73 CD274 (0.34) CTSGCMA1MEN1KMT2ANPC1
SCHEMBL27580651 0.72 ALB (0.40) ALBMEN1KMT2ANPC1RAB9A
SCHEMBL4040155 0.71 GRIA1 (0.42) CTSGCMA1MEN1KMT2ACD274
SCHEMBL4038644 0.70 CA12 (0.40) CTSGCMA1MEN1KMT2ANPC1
SCHEMBL27734998 0.69 PRKCZ (0.34) ALBMEN1KMT2ANPC1ALDH1A1
SCHEMBL4041484 0.68 EGLN1 (0.37) RAB9ACD274ALDH1A1KDM4EMAPT
SCHEMBL4041245 0.66 MEN1 (0.39) CTSGCMA1MEN1KMT2ANPC1
SCHEMBL4043691 0.66 HTR2C (0.32) RAB9ACD274KDM4EPDCD1
SCHEMBL4039070 0.65 CYP11B2 (0.39) MEN1KMT2ANPC1RAB9AALDH1A1

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
US-20030225081-A1 Pyridazinones and triazinones and medicinal use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-12-04 US 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 ALB 4401/4885CTSG 4043/4885CMA1 2314/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 ALB 3245/4885CTSG 4146/4885CMA1 1922/4885

“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.