SCHEMBL4038841

SCHEMBL4038841

COc1ccccc1N1CC(c2ccccn2)=NN(c2ccccc2C#N)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
HTR1A P08908 3/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 2/20 0.41
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
THRB P10828 1/20 0.39
FFAR1 O14842 1/20 0.37
PKM P14618 1/20 0.37
KCNN4 O15554 1/20 0.36
TACR3 P29371 1/20 0.36
KLK3 P07288 1/20 0.35
HTR2C P28335 2/20 0.35
DRD3 P35462 2/20 0.35
MGLL Q99685 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3959509 0.85 GRIA1 (0.34) FFAR1PKMKDM4EHTTSMN1; SMN2
SCHEMBL4040155 0.85 GRIA1 (0.42) DRD2HTR2APDCD1CD274FFAR1
SCHEMBL4042889 0.85 CD274 (0.38) PDCD1CD274FFAR1
SCHEMBL4040485 0.84 PDCD1 (0.42) DRD2HTR1AHTR2APDCD1CD274
SCHEMBL4042014 0.83 GRIA1 (0.34) FFAR1MGLLKDM4ETDP1L3MBTL1
SCHEMBL4041256 0.83 GRIA1 (0.42) DRD2HTR2APDCD1CD274KDM4E
SCHEMBL4050316 0.82 PDCD1 (0.55) DRD2HTR1AHTR2AHTR7PDCD1
SCHEMBL4044781 0.81 CYP11B2 (0.39) KDM4E
SCHEMBL4041349 0.80 GRIA1 (0.38) FFAR1KDM4EHTT
SCHEMBL4044723 0.80 GRIA1 (0.34) FFAR1DRD3SMN1; SMN2

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
EP-1664052-B1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2009-02-18 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 DRD2 849/4885HTR1A 268/4885HTR2A 478/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 DRD2 427/4885HTR1A 216/4885HTR2A 345/4885

“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.