SCHEMBL17643492

SCHEMBL17643492

CC(C)(C)OC(=O)Nc1cc(-c2ccnc(N)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIK3C3 Q8NEB9 4/20 0.45
ABL1 P00519 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
CYP3A4 P08684 1/20 0.43
TGFBR1 P36897 1/20 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
SCHEMBL29992322 1.00 AAK1 (0.48) AAK1IRAK4GSK3BDYRK1AMAP4K4
SCHEMBL6502882 0.86 IRAK4 (0.49) AAK1IRAK4GSK3BDYRK1AMAP4K4
SCHEMBL5251219 0.85 EGFR (0.57) AAK1IRAK4GSK3BDYRK1APIK3C3
SCHEMBL8670718 0.84 FDPS (0.50) AAK1IRAK4GSK3BDYRK1AMAP4K4
SCHEMBL7909650 0.83 ATR (0.46) AAK1IRAK4GSK3BDYRK1AMAP4K4
SCHEMBL5544966 0.82 CYP17A1 (0.47) AAK1IRAK4GSK3BDYRK1AMAP4K4
SCHEMBL17155229 0.82 AAK1 (0.49) AAK1IRAK4GSK3BDYRK1APIK3C3
SCHEMBL12127932 0.82 FDPS (0.54) AAK1GSK3BDYRK1APIK3C3
SCHEMBL5548970 0.81 ATR (0.48) AAK1IRAK4GSK3BDYRK1AMAP4K4
SCHEMBL5251601 0.81 GSK3B (0.46) AAK1IRAK4GSK3BDYRK1AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
EP-3828179-A1 CYANOPYRROLIDINES AS DUB MODULATORS Mission Therapeutics Limited (GB) 2021-06-02 EP disclosed
US-20200369658-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-11-26 US disclosed
US-10774078-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2020-09-15 US disclosed
US-20190330202-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2019-10-31 US disclosed
US-10392380-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2019-08-27 US disclosed
US-20180162852-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LIMITED 2018-06-14 US disclosed
US-9926307-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2018-03-27 US disclosed
US-20170247365-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2017-08-31 US disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 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 (7 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-10774078-B2 Compounds UCHL1, UCHL3, UCHL5 AAK1 3901/4885IRAK4 1964/4885GSK3B 1482/4885
US-20180162852-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 AAK1 3689/4885IRAK4 1887/4885GSK3B 1950/4885
US-10392380-B2 Compounds UCHL1, UCHL3, UCHL5 AAK1 3901/4885IRAK4 1964/4885GSK3B 1482/4885
US-20200369658-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 AAK1 3689/4885IRAK4 1887/4885GSK3B 1950/4885
US-20190330202-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 AAK1 3689/4885IRAK4 1887/4885GSK3B 1950/4885
US-20170247365-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 AAK1 3689/4885IRAK4 1887/4885GSK3B 1950/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 AAK1 3689/4885IRAK4 1887/4885GSK3B 1950/4885

“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.