SCHEMBL6014843

SCHEMBL6014843

O=c1c(-c2ccccc2)cc(-c2ccccn2)nn1-c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.40
PTGS2 P35354 1/20 0.38
GRM5 P41594 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TGFBR1 P36897 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 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
SCHEMBL6014840 0.89 CYP2A6 (0.49) DCTPP1GRM5NPC1MAPTRAB9A
SCHEMBL6014907 0.87 GABRG2 (0.48) DCTPP1PTGS2LMNANPC1MAPT
SCHEMBL6014849 0.85 MEN1 (0.48) DCTPP1PTGS2GRM5LMNANPC1
SCHEMBL6014894 0.85 MAPT (0.38) DCTPP1PTGS2LMNANPC1MAPT
SCHEMBL6014861 0.84 DCTPP1 (0.38) DCTPP1GRM5LMNAKDM4ECYP1A2
SCHEMBL6014899 0.81 GRIA1 (0.49) PTGS2GRM5MAPTALDH1A1HSD17B10
SCHEMBL6014852 0.81 TGFBR1 (0.46) LMNAMAPTALDH1A1TGFBR1KDM4E
SCHEMBL28775311 0.81 DCTPP1 (0.45) DCTPP1GRM5LMNANPC1MAPT
SCHEMBL6014837 0.81 GRIA1 (0.43) PTGS2GRM5LMNANPC1MAPT
SCHEMBL6014946 0.80 DCTPP1 (0.39) DCTPP1GRM5BRD4

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-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 DCTPP1 4878/4885PTGS2 2407/4885GRM5 19/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 DCTPP1 4876/4885PTGS2 2991/4885GRM5 38/4885

“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.