SCHEMBL15070169

SCHEMBL15070169

CC(C)c1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.44
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
AAK1 Q2M2I8 11/20 0.42
MAPK1 P28482 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
IGF1R P08069 1/20 0.39
PTGER1 P34995 1/20 0.39
RIOK2 Q9BVS4 1/20 0.39
TGFBR1 P36897 1/20 0.39
CYP17A1 P05093 1/20 0.39

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
SCHEMBL27962539 0.90 ATR (0.43) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL29626780 0.90 ATR (0.43) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL28741827 0.90 ATR (0.43) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL22945805 0.90 ATR (0.43) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL27955914 0.89 ATR (0.42) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL2808080 0.89 ATR (0.44) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL12596124 0.87 AAK1 (0.41) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL12541193 0.87 AAK1 (0.41) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL12695294 0.87 RAB9A (0.42) ATRGSK3BDYRK1AAAK1MAPK1
SCHEMBL21199963 0.85 AAK1 (0.41) ATRGSK3BDYRK1AAAK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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 (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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B ATR 3464/4885GSK3B 547/4885DYRK1A 4042/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 ATR 2483/4885GSK3B 539/4885DYRK1A 3965/4885

“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.