SCHEMBL4043112

SCHEMBL4043112

COc1ccccc1C1=NN(c2ccccc2Br)C(=O)N(c2ccccn2)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.58
PDCD1 Q15116 4/20 0.58
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.40
UGCG Q16739 7/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36
ALPL P05186 1/20 0.36

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
SCHEMBL4050316 0.85 PDCD1 (0.55) CD274PDCD1KDM4EALDH1A1HSD17B10
SCHEMBL4042771 0.85 UGCG (0.46) CD274PDCD1UGCGMEN1KMT2A
SCHEMBL4042421 0.82 CD274 (0.40) CD274PDCD1KDM4EALDH1A1HSD17B10
SCHEMBL4042219 0.82 UGCG (0.46) CD274PDCD1SMN1; SMN2UGCGMEN1
SCHEMBL4040485 0.81 PDCD1 (0.42) CD274PDCD1KDM4EALDH1A1HSD17B10
SCHEMBL4041582 0.80 L3MBTL1 (0.45) CD274PDCD1ALDH1A1HSD17B10HPGD
SCHEMBL4044542 0.80 PDCD1 (0.39) CD274PDCD1ALDH1A1HSD17B10UGCG
SCHEMBL27598154 0.78 PDCD1 (0.48) CD274PDCD1KDM4EALDH1A1HSD17B10
SCHEMBL4050443 0.77 PDCD1 (0.48) CD274PDCD1KDM4EALDH1A1HSD17B10
SCHEMBL6015104 0.76 PDCD1 (0.46) CD274PDCD1KDM4EALDH1A1HSD17B10

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 CD274 2129/4885PDCD1 3074/4885KDM4E 1727/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CD274 3053/4885PDCD1 3741/4885KDM4E 2321/4885

“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.