SCHEMBL6014840

SCHEMBL6014840

O=c1c(-c2cccnc2)cc(-c2ccccn2)nn1-c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
DCTPP1 Q9H773 2/20 0.42
USP8 P40818 1/20 0.42
VHL P40337 1/20 0.42
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
GRM5 P41594 2/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL6014843 0.89 DCTPP1 (0.40) NPC1RAB9ADCTPP1KDM4EALDH1A1
SCHEMBL6014876 0.84 CYP2A6 (0.46) CYP2A6NPC1RAB9ADCTPP1VHL
SCHEMBL6014924 0.83 CYP2A6 (0.54) CYP2A6USP8VHLKDM4EALDH1A1
SCHEMBL6014845 0.83 CYP2A6 (0.45) CYP2A6NPC1DCTPP1VHLKDM4E
SCHEMBL6014861 0.81 DCTPP1 (0.38) DCTPP1KDM4EGRM5CA12CA1
SCHEMBL6014865 0.81 CYP2A6 (0.51) CYP2A6DCTPP1USP8VHLGRM5
SCHEMBL6014849 0.81 MEN1 (0.48) NPC1RAB9ADCTPP1PKMSMN1; SMN2
SCHEMBL6014894 0.80 MAPT (0.38) NPC1RAB9ADCTPP1MAPT
SCHEMBL6014907 0.80 GABRG2 (0.48) NPC1RAB9ADCTPP1PKMSMN1; SMN2
SCHEMBL6014906 0.79 CYP2A6 (0.50) CYP2A6USP8VHLKDM4EMAPT

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 CYP2A6 596/4885NPC1 2494/4885RAB9A 4582/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CYP2A6 413/4885NPC1 2506/4885RAB9A 4719/4885

“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.