SCHEMBL6014946

SCHEMBL6014946

O=c1c(-c2ccccn2)cc(-c2ccccc2O)nn1-c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.39
GRM5 P41594 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MMP2 P08253 2/20 0.36
BRD4 O60885 1/20 0.36
HTR7 P34969 1/20 0.36
KDM1A O60341 5/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL6014861 0.92 DCTPP1 (0.38) DCTPP1GRM5CA12CA1CA2
SCHEMBL6014873 0.84 DCTPP1 (0.45) DCTPP1GRM5BRD4KDM1AHDAC1
SCHEMBL6014843 0.80 DCTPP1 (0.40) DCTPP1GRM5BRD4
SCHEMBL6014840 0.78 CYP2A6 (0.49) DCTPP1GRM5CA12CA1CA2
SCHEMBL27755586 0.77 LMNA (0.48) DCTPP1GRM5BRD4MAOB
SCHEMBL27755579 0.77 GRM5 (0.38) DCTPP1GRM5
SCHEMBL6014954 0.75 TGFBR1 (0.48)
SCHEMBL20591288 0.75 KDM4E (0.54) GRM5BRD4HTR7KDM1A
SCHEMBL15485572 0.75 KDM4E (0.54) GRM5BRD4HTR7KDM1A
SCHEMBL6014911 0.74 GRIA1 (0.47) GRM5

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 DCTPP1 4878/4885GRM5 19/4885CA12 1556/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 DCTPP1 4876/4885GRM5 38/4885CA12 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.