SCHEMBL12289582

SCHEMBL12289582

CN(C)CCOc1ccc2[nH]c(-c3ccc(N)c(N)c3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.61
▸ CHEK2 O96017 2/20 0.48
▸ DYRK3 O43781 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ RPS6KB1 P23443 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ PKN2 Q16513 1/20 0.48
▸ PIM3 Q86V86 1/20 0.48
▸ BRSK1 Q8TDC3 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ HIPK2 Q9H2X6 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ STK17A Q9UEE5 1/20 0.48
▸ MAP4K5 Q9Y4K4 1/20 0.48
▸ BRAF P15056 3/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 2/20 0.43

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
SCHEMBL18973764 0.88 ACHE (0.55) ACHECHEK2DYRK3MAP4K4PIM1
SCHEMBL14903464 0.86 ACHE (0.53) ACHECHEK2DYRK3MAP4K4PIM1
SCHEMBL20982555 0.83 ACHE (0.59) ACHECHEK2BRAFATP4AATP4B
SCHEMBL21017232 0.83 ACHE (0.77) ACHECHEK2BRAFATP4AATP4B
SCHEMBL21017655 0.83 ACHE (0.65) ACHECHEK2KDM4ENPC1ALDH1A1
SCHEMBL21017221 0.81 ACHE (0.63) ACHECHEK2DYRK3MAP4K4PIM1
SCHEMBL21018108 0.81 ACHE (0.69) ACHECHEK2DYRK3MAP4K4PIM1
SCHEMBL14891841 0.81 ACHE (0.62) ACHEDYRK3MAP4K4PIM1RPS6KB1
SCHEMBL21018152 0.79 ACHE (0.81) ACHECHEK2KDM4ENPC1ALDH1A1
SCHEMBL20982498 0.78 CHEK2 (0.60) ACHECHEK2ATP4AATP4B

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-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 — — US disclosed
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 — — US disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 — — EP disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 — — US disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 — — US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 — — US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 — — US disclosed
WO-2011123890-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2011-10-13 — — WO 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-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS NR1H2, NR1H3, NR1I3 ACHE 3919/4885CHEK2 1000/4885DYRK3 1794/4885

“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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