SCHEMBL6014913

SCHEMBL6014913

O=c1c(-c2cccnc2)cc(-c2ccccn2)nn1-c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.48
CYP2A6 P11509 1/20 0.43
MAPT P10636 3/20 0.41
POLB P06746 3/20 0.41
NPC1 O15118 3/20 0.41
TP53 P04637 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
ESR2 Q92731 1/20 0.40
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
SCHEMBL27844450 0.94 FYN (0.44) FYNCYP2A6MAPTPOLBNPC1
SCHEMBL6014865 0.83 CYP2A6 (0.51) FYNCYP2A6POLBCA12CA1
SCHEMBL6014924 0.83 CYP2A6 (0.54) FYNCYP2A6MAPTPOLBALDH1A1
SCHEMBL6014895 0.82 CYP2A6 (0.48) FYNCYP2A6MAPTPOLBNPC1
SCHEMBL6014884 0.81 CYP2A6 (0.47) CYP2A6MAPTNPC1RAB9AALDH1A1
SCHEMBL6014934 0.79 CYP2A6 (0.49) FYNCYP2A6MAPTPOLBALDH1A1
SCHEMBL6014906 0.78 CYP2A6 (0.50) CYP2A6MAPTPOLBKDM4ECA12
SCHEMBL6014896 0.78 CA12 (0.55) CYP2A6CA12CA1CA2CA9
SCHEMBL6014917 0.78 CYP2A6 (0.45) CYP2A6MAPTPOLBALDH1A1KDM4E
SCHEMBL6014864 0.77 CYP2A6 (0.47) FYNCYP2A6CA12CA1CA2

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 FYN 2132/4885CYP2A6 596/4885MAPT 4269/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 FYN 2700/4885CYP2A6 413/4885MAPT 3873/4885

“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.