SCHEMBL22495589

SCHEMBL22495589

COc1c(F)ccc(-n2c(C)nc(OS(=O)(=O)c3ccc(C)cc3)c(C)c2=O)c1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GFER P55789 1/20 0.31
P2RY12 Q9H244 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
ALDH3A1 P30838 1/20 0.30
VDR P11473 1/20 0.30

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
SCHEMBL29388722 1.00 PTPN11 (0.42) PTPN11KEAP1NFE2L2MEN1ALDH1A1
SCHEMBL22495558 0.84 PTPN11 (0.40) PTPN11KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL29389990 0.84 PTPN11 (0.40) PTPN11KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL22495554 0.83 PTPN11 (0.41) PTPN11KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL29390474 0.83 PTPN11 (0.41) PTPN11KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL22495641 0.83 PTPN11 (0.41) PTPN11KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL29391146 0.83 PTPN11 (0.41) PTPN11KEAP1NFE2L2ALDH1A1LMNA
SCHEMBL22545283 0.80 PTPN11 (0.43) PTPN11L3MBTL1GLA
SCHEMBL22495682 0.78 PTPN11 (0.41) PTPN11KEAP1NFE2L2ALDH1A1
SCHEMBL22495612 0.78 PTPN11 (0.43) PTPN11KEAP1NFE2L2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
EP-3952998-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS Merck Patent GmbH (DE) 2022-02-16 EP disclosed
CN-113646049-A Pyrimidone derivatives as SHP2 antagonists 默克专利有限公司 2021-11-12 CN disclosed
US-20210179565-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2021-06-17 US disclosed
US-20210179565-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2021-06-17 US disclosed
US-11001561-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
US-11001561-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
WO-2020210384-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-10-15 WO disclosed
WO-2020210384-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-10-15 WO disclosed
US-20200317622-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS EMD SERONO RESEARCH AND DEVELOPMENT, INC. 2020-10-08 US disclosed
US-20200317622-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS EMD SERONO RESEARCH AND DEVELOPMENT, INC. 2020-10-08 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-11001561-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 PTPN11 14/4885KEAP1 871/4885NFE2L2 2485/4885
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 PTPN11 14/4885KEAP1 871/4885NFE2L2 2485/4885
US-20210179565-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN1, PTPN2 PTPN11 14/4885KEAP1 871/4885NFE2L2 2485/4885
US-20200317622-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN1, PTPN2 PTPN11 14/4885KEAP1 871/4885NFE2L2 2485/4885

“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.