SCHEMBL114995

SCHEMBL114995

CC(C)(C)OC(=O)Nc1cc(N)cnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.44
MAPKAPK2 P49137 5/20 0.42
MAP4K4 O95819 1/20 0.39
METAP1 P53582 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TRPA1 O75762 1/20 0.36
CDK1 P06493 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
BACE1 P56817 1/20 0.35
PRKDC P78527 1/20 0.35
PI4KB Q9UBF8 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
SCHEMBL27879609 0.86 GAA (0.39) ATRMAPKAPK2MAP4K4TRPA1STK17B
SCHEMBL1699239 0.85 ATR (0.46) ATRMAPKAPK2METAP1HSP90AA1HSP90AB1
SCHEMBL28705728 0.84 ATR (0.45) ATRMAPKAPK2METAP1HSP90AA1HSP90AB1
SCHEMBL12321293 0.84 MAP4K4 (0.40) ATRMAPKAPK2MAP4K4METAP1BRD9
SCHEMBL29759682 0.84 MAP4K4 (0.40) ATRMAPKAPK2MAP4K4METAP1BRD9
SCHEMBL380261 0.83 AAK1 (0.45) ATRMAPKAPK2METAP1HSP90AA1HSP90AB1
SCHEMBL15223288 0.83 ATR (0.44) ATRMAPKAPK2METAP1HSP90AA1HSP90AB1
SCHEMBL28708582 0.82 ATR (0.46) ATRMAPKAPK2METAP1HSP90AA1HSP90AB1
SCHEMBL18961320 0.82 ATR (0.43) ATRMAPKAPK2METAP1HSP90AA1HSP90AB1
SCHEMBL29435550 0.81 RXFP1 (0.46) ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590098-B2 Pyrimido pyrimidinone compound and pharmaceutical composition comprising the same AXCESO BIOPHARMA CO., LTD. (KR) 2026-03-31 US disclosed
EP-4215533-B1 PYRIMIDOPYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AXCESO BIOPHARMA CO LTD (KR) 2026-02-11 EP disclosed
US-20230348474-A1 PYRIMIDO PYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AXCESO BIOPHARMA CO., LTD. (KR) 2023-11-02 US disclosed
EP-4215533-A1 PYRIMIDOPYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Axceso Biopharma Co., Ltd. (KR) 2023-07-26 EP disclosed
WO-2022060094-A1 PYRIMIDOPYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 엑세쏘바이오파마 2022-03-24 WO disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (4 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD ATR 982/4885MAPKAPK2 85/4885MAP4K4 146/4885
US-20230348474-A1 PYRIMIDO PYRIMIDINONE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PDCD1, PDCD1LG2, CD274 ATR 383/4885MAPKAPK2 3330/4885MAP4K4 2916/4885
US-12590098-B2 Pyrimido pyrimidinone compound and pharmaceutical composition comprising the same PDCD1, CD274, PDCD1LG2 ATR 1179/4885MAPKAPK2 2830/4885MAP4K4 2413/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD ATR 982/4885MAPKAPK2 85/4885MAP4K4 146/4885

“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.