SCHEMBL6014865

SCHEMBL6014865

O=c1c(-c2cccnc2)cc(-c2ccccn2)nn1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.51
USP8 P40818 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
VHL P40337 1/20 0.46
EPHX2 P34913 5/20 0.44
DHODH Q02127 1/20 0.44
GRM5 P41594 4/20 0.43
CYP19A1 P11511 1/20 0.43
FYN P06241 1/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DCTPP1 Q9H773 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
SCHEMBL6014924 0.95 CYP2A6 (0.54) CYP2A6USP8CA12CA1CA2
SCHEMBL6014906 0.88 CYP2A6 (0.50) CYP2A6USP8CA12CA1CA2
SCHEMBL6014895 0.87 CYP2A6 (0.48) CYP2A6USP8CA12CA1CA2
SCHEMBL6014896 0.87 CA12 (0.55) CYP2A6USP8CA12CA1CA2
SCHEMBL6014884 0.86 CYP2A6 (0.47) CYP2A6USP8CA12CA1CA2
SCHEMBL6014864 0.84 CYP2A6 (0.47) CYP2A6USP8CA12CA1CA2
SCHEMBL6014934 0.84 CYP2A6 (0.49) CYP2A6CA12CA1CA2CA9
SCHEMBL6014913 0.83 FYN (0.48) CYP2A6USP8CA12CA1CA2
SCHEMBL6014917 0.82 CYP2A6 (0.45) CYP2A6USP8CA12CA1CA2
SCHEMBL6014840 0.81 CYP2A6 (0.49) CYP2A6USP8CA12CA1CA2

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 596/4885USP8 2072/4885CA12 1556/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CYP2A6 413/4885USP8 2026/4885CA12 2084/4885

“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.