SCHEMBL4050316

SCHEMBL4050316

COc1ccccc1C1=NN(c2ccccc2C#N)C(=O)N(c2ccccn2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.55
CD274 Q9NZQ7 3/20 0.55
KCNN4 O15554 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
UGCG Q16739 7/20 0.39
DRD2 P14416 2/20 0.39
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
PKM P14618 1/20 0.36
THRB P10828 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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 0.86 UGCG (0.46) PDCD1CD274KCNN4ALDH1A1KDM4E
SCHEMBL4043112 0.85 CD274 (0.58) PDCD1CD274ALDH1A1KDM4ENPC1
SCHEMBL4042889 0.83 CD274 (0.38) PDCD1CD274ALDH1A1NPC1RAB9A
SCHEMBL4039858 0.83 UGCG (0.46) PDCD1CD274KCNN4ALDH1A1KDM4E
SCHEMBL4038841 0.82 DRD2 (0.42) PDCD1CD274KCNN4KDM4ESMN1; SMN2
SCHEMBL27844385 0.79 PDCD1 (0.46) PDCD1CD274KCNN4ALDH1A1KDM4E
SCHEMBL4040155 0.73 GRIA1 (0.42) PDCD1CD274DRD2HTR2A
SCHEMBL22908675 0.72 CD274 (1.00) PDCD1CD274ALDH1A1KDM4ENPC1
SCHEMBL3959509 0.71 GRIA1 (0.34) ALDH1A1KDM4ESMN1; SMN2PKM
SCHEMBL4045158 0.71 MEN1 (0.37) ALDH1A1NPC1RAB9AHSD17B10

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 PDCD1 3074/4885CD274 2129/4885KCNN4 179/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 PDCD1 3741/4885CD274 3053/4885KCNN4 140/4885

“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.