SCHEMBL6014852

SCHEMBL6014852

CN(C)CCOc1ccc(-c2cc(-c3ccccn3)nn(-c3ccccc3Br)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.46
ACVR1B P36896 1/20 0.46
TNKS O95271 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
LYN P07948 1/20 0.39
SRC P12931 1/20 0.39
BTK Q06187 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR1 P25024 1/20 0.37
ADRB2 P07550 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
SCHEMBL6014954 0.93 TGFBR1 (0.48) TGFBR1ACVR1BTNKSCYP1A2CYP2C9
SCHEMBL6014851 0.86 HTR7 (0.44) TGFBR1ACVR1BSMN1; SMN2ALDH1A1ADRB2
SCHEMBL6014907 0.85 GABRG2 (0.48) TGFBR1GAASMN1; SMN2MAPTALDH1A1
SCHEMBL6014953 0.84 HTR7 (0.44) TGFBR1ACVR1BSMN1; SMN2ALDH1A1ADRB2
SCHEMBL6014843 0.81 DCTPP1 (0.40) TGFBR1CYP1A2MAPTALDH1A1ADORA3
SCHEMBL6014894 0.81 MAPT (0.38) GAAMAPTMEN1KMT2ALMNA
SCHEMBL6014849 0.77 MEN1 (0.48) TGFBR1GAASMN1; SMN2MAPTMEN1
SCHEMBL27755578 0.77 MAPK1 (0.37) GAASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL27755576 0.75 DCTPP1 (0.38) CYP1A2CYP2C9CYP2C19CYP2D6CYP19A1
SCHEMBL1884751 0.75 GRIA1 (0.53) TGFBR1ACVR1BTNKSCYP1A2CYP2C9

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 TGFBR1 1167/4885ACVR1B 1081/4885TNKS 3355/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 TGFBR1 949/4885ACVR1B 505/4885TNKS 3715/4885

“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.