SCHEMBL4040908

SCHEMBL4040908

CN(C)CCOc1ccc(C2=NN(c3ccccc3Br)C(=O)N(c3ccccc3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
LTA4H P09960 2/20 0.39
TNKS O95271 2/20 0.39
LSS P48449 1/20 0.39
MCHR1 Q99705 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
HTR7 P34969 1/20 0.37
ACHE P22303 1/20 0.36
TNK2 Q07912 1/20 0.36
PLK1 P53350 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CXCR1 P25024 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ESR1 P03372 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
SCHEMBL4038644 0.82 CA12 (0.40) KDM4EPOLBALDH1A1
SCHEMBL27598077 0.80 LTA4H (0.40) LTA4HTNKSLSSMCHR1FGFR1
SCHEMBL4043960 0.75 CA12 (0.39) KDM4EPOLBALDH1A1
SCHEMBL4044374 0.73 CA12 (0.42) KDM4EPOLBALDH1A1
SCHEMBL4043225 0.73 CD274 (0.34) KDM4E
SCHEMBL4041484 0.72 EGLN1 (0.37) KDM4EALDH1A1
SCHEMBL4042771 0.71 UGCG (0.46)
SCHEMBL4041245 0.71 MEN1 (0.39)
SCHEMBL6081644 0.67 LTA4H (0.67) LTA4HMCHR1TNK2KDM4EPOLB
SCHEMBL22831331 0.65 LSS (0.83) HRH3LTA4HLSSHTR7ACHE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP claimed
EP-1319659-A1 PYRIDAZINONES AND TRIAZINONES AND MEDICINAL USE THEREOF Eisai Co., Ltd. (JP) 2003-06-18 EP claimed
EP-1319659-B1 TRIAZINONES AND MEDICINAL USE THEREOF EISAI R&D MAN CO LTD (JP) 2009-03-11 EP 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 HRH3 36/4885LTA4H 2183/4885TNKS 3355/4885
US-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 HRH3 16/4885LTA4H 1983/4885TNKS 3715/4885

“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.