SCHEMBL6014953

SCHEMBL6014953

CN(C)CCOc1ccccc1-c1cc(-c2ccccn2)c(=O)n(-c2ccccc2Br)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.44
FABP3 P05413 8/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FABP4 P15090 7/20 0.37
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
IDO1 P14902 1/20 0.36
KAT2B Q92831 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 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
SCHEMBL6014851 0.92 HTR7 (0.44) HTR7FABP3KDM4EALDH1A1SMN1; SMN2
SCHEMBL6014954 0.88 TGFBR1 (0.48) ALDH1A1SMN1; SMN2ACVR1BTGFBR1ADRB2
SCHEMBL6014873 0.85 DCTPP1 (0.45) FABP3KDM4EALDH1A1SMN1; SMN2
SCHEMBL6014852 0.84 TGFBR1 (0.46) HTR7KDM4EALDH1A1SMN1; SMN2ACVR1B
SCHEMBL27755579 0.81 GRM5 (0.38) FABP3ALDH1A1SMN1; SMN2
SCHEMBL6014946 0.78 DCTPP1 (0.39) HTR7
SCHEMBL28775311 0.77 DCTPP1 (0.45) FABP3KDM4ESMN1; SMN2
SCHEMBL27755580 0.76 GRM5 (0.38) FABP3ALDH1A1SMN1; SMN2
SCHEMBL27755576 0.76 DCTPP1 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL27755586 0.72 LMNA (0.48) SMN1; SMN2TGFBR1

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 8 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
CN-101486683-B Pyridazinone and triazinone compounds and their use as pharmaceutical formulations Sanitary Material R&D Management Co.,Ltd. (JP) 2011-12-21 CN disclosed
CN-101486683-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI R&D MAN CO LTD (JP) 2009-07-22 CN disclosed
CN-100473647-C Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2009-04-01 CN 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 HTR7 266/4885FABP3 3260/4885KDM4E 1727/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 HTR7 287/4885FABP3 4050/4885KDM4E 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.