SCHEMBL25529136

SCHEMBL25529136

Cc1cnc(Br)c(=O)n1-c1ccc(F)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.40
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
DPP4 P27487 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
KMT2A Q03164 1/20 0.32
CCR9 P51686 1/20 0.31
G6PD P11413 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
SCHEMBL23147167 0.83 KDM4E (0.46) MAPK14ALDH1A1L3MBTL1KDM4E
SCHEMBL25529134 0.78 L3MBTL1 (0.38) MAPK14ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL30174170 0.78 MYC (0.36) MAPK14ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL25227025 0.78 MYC (0.36) MAPK14ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL30174285 0.77 KDM4E (0.36) MAPK14ALDH1A1L3MBTL1KDM4E
SCHEMBL25533451 0.75 KDM4E (0.40) MAPK14ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL30063313 0.75 KDM4E (0.40) MAPK14ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL30174302 0.74 MAPK14 (0.34) MAPK14ALDH1A1L3MBTL1KDM4EGPR119
SCHEMBL25529138 0.74 MAPK14 (0.34) MAPK14ALDH1A1L3MBTL1KDM4EGPR119
SCHEMBL25529152 0.72 TYK2 (0.35) MAPK14ALDH1A1NPC1RAB9ARXFP1

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
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
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN 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 307/4885ALDH1A1 3998/4885L3MBTL1 3091/4885

“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.