SCHEMBL25529138

SCHEMBL25529138

Cc1c[nH]c(=O)c(=O)n1-c1ccc(F)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.34
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDO2 P48775 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
SLC11A2 P49281 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
GRM1 Q13255 2/20 0.32
GRIA1 P42261 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TNK1 Q13470 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL30174302 1.00 MAPK14 (0.34) MAPK14PARP1PARP2ALDH1A1L3MBTL1
SCHEMBL23146745 0.78 L3MBTL1 (0.50) ALDH1A1L3MBTL1KDM4E
SCHEMBL25529136 0.74 MAPK14 (0.40) MAPK14ALDH1A1L3MBTL1KDM4EGPR119
SCHEMBL30174170 0.74 MYC (0.36) MAPK14ALDH1A1L3MBTL1KDM4EHRH3
SCHEMBL25529134 0.74 L3MBTL1 (0.38) MAPK14ALDH1A1L3MBTL1KDM4EHRH3
SCHEMBL25528981 0.74 MYC (0.42) ALDH1A1L3MBTL1KDM4E
SCHEMBL25227025 0.74 MYC (0.36) MAPK14ALDH1A1L3MBTL1KDM4EHRH3
SCHEMBL30174285 0.72 KDM4E (0.36) MAPK14ALDH1A1L3MBTL1KDM4EHRH3
SCHEMBL30174233 0.72 TYK2 (0.40) MAPK14ALDH1A1L3MBTL1KDM4EJAK2
SCHEMBL25234474 0.71 L3MBTL1 (0.42) MAPK14L3MBTL1KDM4EGRM1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 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 (1 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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX MAPK14 307/4885PARP1 1038/4885PARP2 840/4885

“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.