Sugi Predict

Sugi Predict / Compounds / SCHEMBL6014892

SCHEMBL6014892

SCHEMBL6014892

COc1ccc(Br)cc1-c1cc(-c2ccccn2)nn(-c2ccccc2C#N)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 1/20 0.40
▸ GRIA1 P42261 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ KLK3 P07288 1/20 0.37
▸ SQOR Q9Y6N5 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ STK10 O94804 1/20 0.35
▸ SLK Q9H2G2 1/20 0.35
▸ DRD2 P14416 2/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ AR P10275 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 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
SCHEMBL6014929 0.89 KCNN4 (0.51) KCNN4GRIA1GRIA3PDE4DATM
SCHEMBL27735025 0.85 SQOR (0.40) KCNN4GRIA1GRIA3PDE4DATM
SCHEMBL6014918 0.82 GRIA1 (0.47) KCNN4GRIA1GRIA3PDE4DSQOR
SCHEMBL6014925 0.81 GRIA1 (0.56) KCNN4GRIA1GRIA3PDE4DSQOR
SCHEMBL27755574 0.79 GAA (0.43) GRIA1GRIA3PDE4DSQORKDM4E
SCHEMBL6014899 0.78 GRIA1 (0.49) GRIA1GRIA3PDE4DATMSQOR
SCHEMBL6014911 0.78 GRIA1 (0.47) GRIA1GRIA3PDE4DKDM4EMAPT
SCHEMBL28775311 0.78 DCTPP1 (0.45) KCNN4ATMKLK3KDM4EDCTPP1
SCHEMBL4722388 0.78 KCNN4 (0.52) KCNN4GRIA1GRIA3PDE4DSQOR
SCHEMBL6014876 0.74 CYP2A6 (0.46) GRIA1GRIA3PDE4DKDM4EDCTPP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 — — US claimed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 — — EP claimed
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 KCNN4 179/4885GRIA1 30/4885GRIA3 28/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 KCNN4 140/4885GRIA1 50/4885GRIA3 35/4885

“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.