SCHEMBL6014884

SCHEMBL6014884

O=c1c(-c2cccnc2)cc(-c2ccccn2)nn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
GAA P10253 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
RPA1 P27694 2/20 0.41
FABP3 P05413 1/20 0.41
USP8 P40818 1/20 0.41

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
SCHEMBL6014865 0.86 CYP2A6 (0.51) CYP2A6CYP1A2CYP2C9CYP2C19CA12
SCHEMBL6014924 0.86 CYP2A6 (0.54) CYP2A6ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6014895 0.86 CYP2A6 (0.48) CYP2A6GAAALDH1A1MAPTNPC1
SCHEMBL6014934 0.83 CYP2A6 (0.49) CYP2A6ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6014906 0.82 CYP2A6 (0.50) CYP2A6GAACYP1A2CYP2C9CYP2C19
SCHEMBL6014913 0.81 FYN (0.48) CYP2A6ALDH1A1CYP1A2KDM4ECYP2D6
SCHEMBL6014917 0.81 CYP2A6 (0.45) CYP2A6ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6014896 0.81 CA12 (0.55) CYP2A6CA12CA1CA2CA9
SCHEMBL6014864 0.80 CYP2A6 (0.47) CYP2A6CYP2C9CYP2C19CA12CA1
SCHEMBL6014840 0.78 CYP2A6 (0.49) CYP2A6ALDH1A1CYP2C9CYP2C19KDM4E

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 CYP2A6 596/4885GAA 3067/4885ALDH1A1 1550/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CYP2A6 413/4885GAA 3855/4885ALDH1A1 2206/4885

“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.