SCHEMBL22495567

SCHEMBL22495567

COC(=O)Cc1c(OS(=O)(=O)c2ccc(C)cc2)nc(C)n(-c2cccc(Cl)c2Cl)c1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 11/20 0.39
ALDH1A1 P00352 2/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
SLC6A4 P31645 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
P2RX7 Q99572 1/20 0.35
TP53 P04637 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
SCHEMBL29388614 1.00 PTPN11 (0.39) PTPN11ALDH1A1HIF1AKDM4ETSHR
SCHEMBL25855381 0.83 PTPN11 (0.51) PTPN11KEAP1NFE2L2
SCHEMBL22495539 0.79 PTPN11 (0.55) PTPN11KEAP1NFE2L2
SCHEMBL22520465 0.79 PTPN11 (0.44) PTPN11KEAP1NFE2L2
SCHEMBL29390706 0.79 PTPN11 (0.55) PTPN11KEAP1NFE2L2
SCHEMBL22545188 0.75 KEAP1 (0.42) PTPN11ALDH1A1KDM4EKEAP1NFE2L2
SCHEMBL22495682 0.73 PTPN11 (0.41) PTPN11ALDH1A1KDM4EKEAP1NFE2L2
SCHEMBL22495715 0.73 PTPN11 (0.46) PTPN11KEAP1NFE2L2
SCHEMBL29391138 0.73 PTPN11 (0.41) PTPN11ALDH1A1KDM4EKEAP1NFE2L2
SCHEMBL22495663 0.73 PTPN11 (0.41) PTPN11ALDH1A1KDM4EKEAP1NFE2L2

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 14/4885ALDH1A1 2296/4885HIF1A 1826/4885
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 PTPN11 14/4885ALDH1A1 2296/4885HIF1A 1826/4885
US-20210179565-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN1, PTPN2 PTPN11 14/4885ALDH1A1 2296/4885HIF1A 1826/4885
US-20200317622-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN1, PTPN2 PTPN11 14/4885ALDH1A1 2296/4885HIF1A 1826/4885

“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.