SCHEMBL6014895

SCHEMBL6014895

O=c1c(-c2cccnc2)cc(-c2ccccn2)nn1-c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
USP8 P40818 1/20 0.44
VHL P40337 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP11B1 P15538 2/20 0.43
MAPT P10636 2/20 0.43
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B2 P19099 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.42
GRM5 P41594 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPK10 P53779 2/20 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 0.90 FYN (0.44) CYP2A6USP8VHLALDH1A1MAPT
SCHEMBL6014865 0.87 CYP2A6 (0.51) CYP2A6USP8VHLCYP19A1CA12
SCHEMBL6014924 0.87 CYP2A6 (0.54) CYP2A6USP8VHLALDH1A1MAPT
SCHEMBL6014884 0.86 CYP2A6 (0.47) CYP2A6USP8VHLALDH1A1MAPT
SCHEMBL6014934 0.83 CYP2A6 (0.49) CYP2A6VHLALDH1A1MAPTCA12
SCHEMBL6014906 0.82 CYP2A6 (0.50) CYP2A6USP8VHLMAPTCA12
SCHEMBL6014913 0.82 FYN (0.48) CYP2A6USP8VHLALDH1A1CYP11B1
SCHEMBL6014896 0.82 CA12 (0.55) CYP2A6USP8CA12CA1CA2
SCHEMBL6014917 0.82 CYP2A6 (0.45) CYP2A6USP8VHLALDH1A1MAPT
SCHEMBL6014864 0.81 CYP2A6 (0.47) CYP2A6USP8VHLCYP11B1CYP19A1

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 596/4885USP8 2072/4885VHL 4550/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 CYP2A6 413/4885USP8 2026/4885VHL 4763/4885

“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.