SCHEMBL6015114

SCHEMBL6015114

COc1ccccc1N1CC(c2ccccn2)=NN(c2ccccc2Br)C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 1/20 0.41
▸ DRD2 P14416 5/20 0.37
▸ HTR1A P08908 5/20 0.37
▸ HTR2A P28223 4/20 0.37
▸ DRD3 P35462 4/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGD P15428 3/20 0.36

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
SCHEMBL6015104 0.82 PDCD1 (0.46) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL28793687 0.75 TACR3 (0.42) TACR3DRD2HTR1AHTR2ADRD3
SCHEMBL4040485 0.74 PDCD1 (0.42) TACR3DRD2HTR1AHTR2ADRD3
SCHEMBL27598051 0.72 NPSR1 (0.40) ALDH1A1TDP1LMNAMAPTRAB9A
SCHEMBL27735037 0.71 PRKCZ (0.35) HTTGAA
SCHEMBL27755569 0.70 PRKCZ (0.36) ALDH1A1KDM4EMAPT
SCHEMBL27735005 0.70 MEN1 (0.34) —
SCHEMBL27755562 0.69 FLT3 (0.34) TACR3ALDH1A1KDM4ELMNAMAPT
SCHEMBL27581557 0.68 TACR3 (0.38) TACR3HTR1AALDH1A1KDM4EHSD17B10
SCHEMBL27735007 0.67 SMN1; SMN2 (0.36) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2

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 1 patent. 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 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 (1 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-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 TACR3 183/4885DRD2 427/4885HTR1A 216/4885

“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.

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